SCHEMBL7772145

SCHEMBL7772145

CNc1cc(C(=O)O)ccc1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.54
HCAR3 P49019 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
SELL P14151 2/20 0.51
SELP P16109 2/20 0.51
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 3/20 0.50
NPC1 O15118 2/20 0.50
CASR P41180 1/20 0.50
MEN1 O00255 2/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
RAB9A P51151 1/20 0.49
SELE P16581 1/20 0.49
GAA P10253 1/20 0.49
MAPK1 P28482 1/20 0.49
TSHR P16473 1/20 0.49
LMNA P02545 1/20 0.48
ALOX12 P18054 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL15765691 0.84 PRKCI (0.59) AKR1C3NPC1MEN1MAPTKMT2A
SCHEMBL2345304 0.84 HCAR3 (0.57) HCAR3L3MBTL1ALDH1A1KDM4ENPC1
SCHEMBL2890452 0.83 HCAR3 (0.61) HCAR3L3MBTL1ALDH1A1KDM4ENPC1
SCHEMBL26292488 0.82 AKR1C3 (0.53) AKR1C3L3MBTL1SELLSELPALDH1A1
SCHEMBL4012969 0.82 ALDH1A1 (0.62) AKR1C3L3MBTL1SELLSELPALDH1A1
SCHEMBL25682588 0.82 HDAC8 (0.49) TSHRSMN1; SMN2
SCHEMBL3113078 0.82 MAPK14 (0.47) ALDH1A1KDM4EMAPTGAALMNA
Hydrochloric Acid SCHEMBL1416836 0.81 ALDH1A1 (0.61) AKR1C3L3MBTL1SELLSELPALDH1A1
SCHEMBL560143 0.81 L3MBTL1 (0.57) L3MBTL1SELLSELPALDH1A1KDM4E
SCHEMBL694887 0.81 CYP2C9 (0.57) L3MBTL1ALDH1A1KDM4EMAPTTSHR

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023164050-A1 COMPOUNDS AS GLP-1R AGONISTS TERNS PHARMACEUTICALS, INC. (US) 2023-08-31 WO disclosed
WO-2019161495-A9 RIPK2 INHIBITORS THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2019-09-19 WO disclosed
WO-2019161495-A1 RIPK2 INHIBITORS THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2019-08-29 WO disclosed
EP-3508204-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Neupharma, Inc. (US) 2019-07-10 EP disclosed
CN-106118428-A A kind of waterproof scratch resistant aqueous polyurethane coating and preparation method thereof 上海乘鹰新材料有限公司 2016-11-16 CN disclosed
US-8633160-B2 Small molecule inhibitors of PDZ interactions NONO INC. (CA) 2014-01-21 US disclosed
US-20080227684-A1 Small Molecule Inhibitors of PDZ Interactions NONO INC. (CA) 2008-09-18 US disclosed
US-6265575-B1 THROMBIN INHIBITORS ELI LILLY AND COMPANY 2001-07-24 US disclosed
US-6251921-B1 ADMINISTERING THROMBIN INHIBITING DIAMINE COMPOUND TO MAMMAL ELI LILLY AND COMPANY 2001-06-26 US disclosed
US-6025382-A Antithrombotic diamines ELI LILLY AND COMPANY (US) 2000-02-15 US 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 (1 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-20080227684-A1 Small Molecule Inhibitors of PDZ Interactions PDLIM5, DAB2IP, PSD AKR1C3 4659/4885HCAR3 3593/4885L3MBTL1 1478/4885

“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.