SCHEMBL197933

SCHEMBL197933

NCc1ccccc1CC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.61
TDP1 Q9NUW8 1/20 0.53
CFD P00746 3/20 0.48
KDM4E B2RXH2 2/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
BCAT2 O15382 1/20 0.47
CXCL8 P10145 5/20 0.46
CYP1A2 P05177 1/20 0.46
MAPT P10636 1/20 0.46
PLG P00747 1/20 0.45
PLAU P00749 1/20 0.45
F11 P03951 1/20 0.45
KLKB1 P03952 1/20 0.45
F7 P08709 1/20 0.45
TPSB2 P20231 1/20 0.45
DPP4 P27487 1/20 0.45
PTGS1 P23219 3/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29557420 1.00 AKR1B1 (0.61) AKR1B1TDP1CFDKDM4ECYP2C9
Hydrochloric Acid SCHEMBL6136173 0.98 AKR1B1 (0.59) AKR1B1TDP1CFDKDM4ECYP2C9
Oxalic Acid SCHEMBL6928691 0.96 AKR1B1 (0.57) AKR1B1TDP1CFDKDM4ECYP2C9
SCHEMBL30359 0.88 AKR1B1 (0.76) AKR1B1TDP1KDM4ECYP2C9HPGD
SCHEMBL29410826 0.88 AKR1B1 (0.76) AKR1B1TDP1KDM4ECYP2C9HPGD
Hydrochloric Acid SCHEMBL6767821 0.85 AKR1B1 (0.73) AKR1B1TDP1KDM4ECYP2C9HPGD
Iodide SCHEMBL31305035 0.85 AKR1B1 (0.73) AKR1B1TDP1KDM4ECYP2C9HPGD
Bicarbonate SCHEMBL31055577 0.85 KDM4E (0.53) AKR1B1TDP1KDM4ECYP2C9HPGD
SCHEMBL28842838 0.85 AKR1B1 (0.73) AKR1B1TDP1KDM4ECYP2C9HPGD
Bicarbonate SCHEMBL27658689 0.85 KDM4E (0.53) AKR1B1TDP1KDM4ECYP2C9HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 318 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023137366-A2 DE NOVO DESIGNED MACROCYCLIC OLIGOAMIDES UNIVERSITY OF WASHINGTON (US) 2023-07-20 WO claimed
CN-113956270-A Preparation method of main degradation product of ceforanide 成都大学 2022-01-21 CN claimed
US-20210154312-A1 CONJUGATES FOR TREATING DISEASES CAUSED BY PSMA EXPRESSING CELLS ENDOCYTE, INC. 2021-05-27 US claimed
WO-2021062048-A2 METHODS AND SYSTEMS FOR MODULATING HEPATIC GABA PRODUCTION OR RELEASE TO ALTER FOOD INTAKE IN MONOGASTRIC SPECIES ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2021-04-01 WO claimed
US-10912840-B2 Conjugates for treating diseases caused by PSMA expressing cells ENDOCYTE, INC. (US) 2021-02-09 US claimed
US-20180256737-A1 CONJUGATES FOR TREATING DISEASES CAUSED BY PSMA EXPRESSING CELLS ENDOCYTE, INC. 2018-09-13 US claimed
US-20160361433-A1 CONJUGATES FOR TREATING DISEASES CAUSED BY PSMA EXPRESSING CELLS ENDOCYTE INC (US) 2016-12-15 US claimed
US-20160361432-A1 CONJUGATES FOR TREATING DISEASES CAUSED BY PSMA EXPRESSING CELLS ENDOCYTE INC (IN) 2016-12-15 US claimed
US-20150297735-A1 CONJUGATES FOR TREATING DISEASES CAUSED BY PSMA EXPRESSING CELLS ENDOCYTE, INC. 2015-10-22 US claimed
EP-2919774-A1 CONJUGATES FOR TREATING DISEASES CAUSED BY PSMA EXPRESSING CELLS Endocyte, Inc. (US) 2015-09-23 EP claimed
US-8088890-B2 Peptides and peptidomimetic compounds, the manufacturing thereof as well as their use for preparing a therapeutically and/or preventively active pharmaceutical composition FIBREX MEDICAL RESEARCH & DEVELOPMENT GMBH (AT) 2012-01-03 US claimed
EP-2334324-A2 BBETA (15-42) AND ITS ANALOGUES COMBINED WITH CYCLOSPORINE FOR TREATMENT OF REPERFUSION INJURY Fibrex Medical Research & Development GmbH (AT) 2011-06-22 EP claimed
EP-2328925-A1 PEPTIDES AND PEPTIDOMIMETIC COMPOUNDS, THE MANUFACTURING THEREOF AS WELL AS THEIR USE FOR PREPARING A THERAPEUTICALLY AND/OR PREVENTIVELY ACTIVE PHARMACEUTICAL COMPOSITION Fibrex Medical Research & Development GmbH (AT) 2011-06-08 EP claimed
EP-2274328-A1 PEPTIDES, PEPTIDOMIMETICS AND DERIVATIVES THEREOF, THE MANUFACTURING THEREOF AS WELL AS THEIR USE FOR PREPARING A THERAPEUTICALLY AND/OR PREVENTIVELY ACTIVE PHARMACEUTICAL COMPOSITION Fibrex Medical Research & Development GmbH (AT) 2011-01-19 EP claimed
WO-2010043972-A2 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE FOR THE PREVENTION AND TREATMENT OF HYPOXIC INJURY FIBREX MEDICAL RESEARCH & DEVELOPMENT GMBH (AT) 2010-04-22 WO claimed
WO-2010034041-A1 PEPTIDES AND PEPTIDOMIMETIC COMPOUNDS, THE MANUFACTURING THEREOF AS WELL AS THEIR USE FOR PREPARING A THERAPEUTICALLY AND/OR PREVENTIVELY ACTIVE PHARMACEUTICAL COMPOSITION FIBREX MEDICAL RESEARCH & DEVELOPMENT GMBH (AT) 2010-04-01 WO claimed
US-20100081787-A1 PEPTIDES AND PEPTIDOMIMETIC COMPOUNDS, THE MANUFACTURING THEREOF AS WELL AS THEIR USE FOR PREPARING A THERAPEUTICALLY AND/OR PREVENTIVELY ACTIVE PHARMACEUTICAL COMPOSITION FIBREX MEDICAL RESEARCH & DEVELOPMENT GMBH (AT) 2010-04-01 US claimed
WO-2009137850-A1 PEPTIDES, PEPTIDOMIMETICS AND DERIVATIVES THEREOF, THE MANUFACTURING THEREOF AS WELL AS THEIR USE FOR PREPARING A THERAPEUTICALLY AND/OR PREVENTIVELY ACTIVE PHARMACEUTICAL COMPOSITION FIBREX MEDICAL RESEARCH & DEVELOPMENT GMBH (AT) 2009-11-19 WO claimed
US-20080167459-A1 Amidite for nucleic acid synthesis and nucleic acid synthesizing method FUJITSU LIMITED (JP) 2008-07-10 US claimed
CN-1088908-A The chemical process of preparation 2-(2-aminomethyl phenyl)-3-methoxy-methyl acrylate ZENECA LTD (GB) 1994-07-06 CN claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080167459-A1 Amidite for nucleic acid synthesis and nucleic acid synthesizing method GABBR2, RNGTT, BCAT2 AKR1B1 1818/4885TDP1 764/4885CFD 4309/4885
US-20210154312-A1 CONJUGATES FOR TREATING DISEASES CAUSED BY PSMA EXPRESSING CELLS FOLH1, KLK3, CD47 AKR1B1 1441/4885TDP1 2364/4885CFD 4313/4885
US-20160361432-A1 CONJUGATES FOR TREATING DISEASES CAUSED BY PSMA EXPRESSING CELLS FOLH1, KLK3, CD47 AKR1B1 1441/4885TDP1 2364/4885CFD 4313/4885
US-20100081787-A1 PEPTIDES AND PEPTIDOMIMETIC COMPOUNDS, THE MANUFACTURING THEREOF AS WELL AS THEIR USE FOR PREPARING A THERAPEUTICALLY AND/OR PREVENTIVELY ACTIVE PHARMACEUTICAL COMPOSITION NGLY1, GHRHR, GHSR AKR1B1 1893/4885TDP1 4804/4885CFD 2039/4885
US-20160361433-A1 CONJUGATES FOR TREATING DISEASES CAUSED BY PSMA EXPRESSING CELLS FOLH1, KLK3, CD47 AKR1B1 1441/4885TDP1 2364/4885CFD 4313/4885
US-10912840-B2 Conjugates for treating diseases caused by PSMA expressing cells FOLH1, KLK3, CD47 AKR1B1 1441/4885TDP1 2364/4885CFD 4313/4885
US-20150297735-A1 CONJUGATES FOR TREATING DISEASES CAUSED BY PSMA EXPRESSING CELLS FOLH1, KLK3, CD47 AKR1B1 1441/4885TDP1 2364/4885CFD 4313/4885
US-20180256737-A1 CONJUGATES FOR TREATING DISEASES CAUSED BY PSMA EXPRESSING CELLS FOLH1, KLK3, CD47 AKR1B1 1441/4885TDP1 2364/4885CFD 4313/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.