SCHEMBL535584

SCHEMBL535584

NC(CCO)C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
IDO1 P14902 1/20 0.49
KMT2A Q03164 2/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
SLC1A1 P43005 4/20 0.48
SLC1A3 P43003 3/20 0.48
LTA4H P09960 2/20 0.47
SLC15A1 P46059 1/20 0.47
LAP3 P28838 1/20 0.47
SLC1A2 P43004 2/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALPI P09923 1/20 0.46

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
SCHEMBL1840095 1.00 ALDH1A1 (0.50) ALDH1A1IDO1KMT2AMAPK1L3MBTL1
Hydrochloric Acid SCHEMBL27309456 0.98 ALDH1A1 (0.49) ALDH1A1IDO1KMT2AMAPK1L3MBTL1
Hydrochloric Acid SCHEMBL27309455 0.98 ALDH1A1 (0.49) ALDH1A1IDO1KMT2AMAPK1L3MBTL1
SCHEMBL8618286 0.90 ALDH1A1 (0.47) ALDH1A1IDO1KMT2AMAPK1L3MBTL1
SCHEMBL8618298 0.90 ALDH1A1 (0.47) ALDH1A1IDO1KMT2AMAPK1L3MBTL1
SCHEMBL22455043 0.90 ALDH1A1 (0.47) ALDH1A1IDO1KMT2AMAPK1L3MBTL1
SCHEMBL8618076 0.89 DPP8 (0.47) ALDH1A1IDO1KMT2AMAPK1L3MBTL1
SCHEMBL8618084 0.89 DPP8 (0.47) ALDH1A1IDO1KMT2AMAPK1L3MBTL1
SCHEMBL4161005 0.88 IDO1 (0.53) ALDH1A1IDO1KMT2AMAPK1L3MBTL1
SCHEMBL10441465 0.88 IDO1 (0.53) ALDH1A1IDO1KMT2AMAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7799762-B2 Acyl pseudodipeptides which carry a functionalised auxialiary arm OM PHARMA (CH) 2010-09-21 US claimed
US-20050192232-A1 Novel acyl-dipeptide-like compounds bearing an accessory functional side chain spacer, a method for preparing the same and pharmaceutical compositions containing such products OM PHARMA (CH) 2005-09-01 US claimed
US-20030203852-A1 Acyl pseudodipeptides which carry a functionalised auxialiary arm OM PHARMA (CH) 2003-10-30 US claimed
CN-1434795-A Acylated Pseudodipeptides with Functionalized Auxiliary Branches OM PHARMA (CH) 2003-08-06 CN claimed
US-10174132-B2 Heparan sulfate synthesis UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2019-01-08 US disclosed
CN-107325127-A The PSMA inhibitor of chelating 癌靶技术有限责任公司 2017-11-07 CN disclosed
CN-103930432-B Chelated PSMA Inhibitors 癌靶技术有限责任公司 2017-06-23 CN disclosed
CN-106414473-A Polyene macrolide derivative 盐野义制药株式会社 2017-02-15 CN disclosed
US-20160060365-A1 HEPARAN SULFATE SYNTHESIS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. 2016-03-03 US disclosed
US-8957205-B2 Cycloalkane carboxamide derivatives and production process of same SEIKAGAKU CORPORATION (JP) 2015-02-17 US disclosed
US-8829209-B2 Cycloalkylcarbonylamino acid ester derivative and process for producing the same SEIKAGAKU CORPORATION (JP) 2014-09-09 US disclosed
CN-101370773-B Cycloalkanecarboxamide derivative and method for producing same SEIKAGAKU KOGYO CO LTD 2014-04-09 CN disclosed
CN-1185253-C Novel glycoproteins NOVARTIS AG (CH) 2005-01-19 CN disclosed
US-20040132809-A1 Cell adhesion inhibitors BIOGEN, INC. 2004-07-08 US disclosed
US-6630503-B1 Non-peptidic sulfonamide compounds that specifically inhibit the binding of ligands to VLA-4 for inhibition, prevention and suppression of VLA-4-mediated cell adhesion and pathologies such as inflammation and immune reactions BIOGEN, INC. 2003-10-07 US disclosed
CN-1434795-A Acylated Pseudodipeptides with Functionalized Auxiliary Branches OM PHARMA (CH) 2003-08-06 CN disclosed
CN-1082051-C Novel cyclic depsipeptide PF1022 derivatives MEIJI SEIKA CO (JP) 2002-04-03 CN disclosed
CN-1252807-A Novel glycoproteins NOVARTIS AG (CH) 2000-05-10 CN disclosed
CN-1201454-A Meta-guanidino, ureido, thioureido or azacyclic aminobenzoic acid derivatives as integrin antagonists SEARLE & CO (US) 1998-12-09 CN disclosed
CN-1201456-A Novel cyclic depsipeptide PF1022 derivatives MEIJI SEIKA CO (JP) 1998-12-09 CN disclosed

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

For each of this compound's patents that has machine-readable text (5 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-20040132809-A1 Cell adhesion inhibitors VCAM1, ICAM1, EPCAM ALDH1A1 631/4885IDO1 4735/4885KMT2A 2350/4885
US-20050192232-A1 Novel acyl-dipeptide-like compounds bearing an accessory functional side chain spacer, a method for preparing the same and pharmaceutical compositions containing such products PIGS, AADAT, CD74 ALDH1A1 3553/4885IDO1 128/4885KMT2A 2277/4885
US-20030203852-A1 Acyl pseudodipeptides which carry a functionalised auxialiary arm PIGS, AADAC, ENPP2 ALDH1A1 4311/4885IDO1 248/4885KMT2A 1663/4885
US-10174132-B2 Heparan sulfate synthesis HPSE, STT3B, DDOST ALDH1A1 3615/4885IDO1 3390/4885KMT2A 2909/4885
US-20160060365-A1 HEPARAN SULFATE SYNTHESIS HPSE, STT3B, DDOST ALDH1A1 3615/4885IDO1 3390/4885KMT2A 2909/4885

“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.