SCHEMBL1179698

SCHEMBL1179698

CC(Br)c1cccc(C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.54
ENPEP Q07075 1/20 0.54
PTGS1 P23219 3/20 0.50
PTGS2 P35354 3/20 0.50
MAPT P10636 2/20 0.50
CXCR1 P25024 2/20 0.50
CXCR2 P25025 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
ALDH1A1 P00352 2/20 0.50
RECQL P46063 1/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPK1 P28482 1/20 0.50
PMP22 Q01453 1/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
CXCL8 P10145 1/20 0.50
THPO P40225 1/20 0.50

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
SCHEMBL14843614 0.86 ANPEP (0.56) ANPEPENPEPPTGS1PTGS2MAPT
SCHEMBL13653041 0.85 PTGS1 (0.70) PTGS1PTGS2MAPTCXCR1CXCR2
SCHEMBL9636442 0.85 PTGS1 (0.70) PTGS1PTGS2MAPTCXCR1CXCR2
SCHEMBL597590 0.85 ALDH1A1 (0.46) PTGS1PTGS2MAPTCXCR1CXCR2
SCHEMBL27626633 0.85 SMN1; SMN2 (0.46) ANPEPENPEPPTGS1PTGS2MAPT
SCHEMBL2226771 0.84 ANPEP (0.58) ANPEPENPEPPTGS1PTGS2MAPT
SCHEMBL30354039 0.84 ANPEP (0.58) ANPEPENPEPPTGS1PTGS2MAPT
SCHEMBL105264 0.84 RXRA (0.66) ANPEPENPEPPTGS1PTGS2MAPT
SCHEMBL371525 0.84 ANPEP (0.58) ANPEPENPEPPTGS1PTGS2MAPT
SCHEMBL30444032 0.84 RXRA (0.66) ANPEPENPEPPTGS1PTGS2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024068692-A1 TERTIARY AMINE DERIVATIVES AND THEIR USES FOR TREATING A VIRAL INFECTION ENYO PHARMA (FR) 2024-04-04 WO disclosed
CN-108473478-A TBK/IKK inhibitor compounds and uses thereof 默克专利有限公司 2018-08-31 CN disclosed
US-20160130230-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-05-12 US disclosed
CN-105143209-A Biaryl amide compounds as kinase inhibitors NOVARTIS AG 2015-12-09 CN disclosed
US-9187428-B2 Substituted dicyanopyridines and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-17 US disclosed
CN-103221047-B Compounds and methods TEMPERO PHARMACEUTICALS INC 2014-12-17 CN disclosed
US-20130210795-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-15 US disclosed
CN-103228651-A Compounds useful as inhibitors of atr kinase VERTEX PHARMA 2013-07-31 CN disclosed
US-20110034507-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2011-02-10 US disclosed
CN-101932568-A Thiazole derivative and use thereof as vap-1 inhibitor R TECH UENO LTD 2010-12-29 CN disclosed
US-6329342-B1 CARDIOVASCULAR DISORDERS ELI LILLY AND COMPANY 2001-12-11 US disclosed
US-6288065-B1 CENTRAL NERVOUS SYSTEM DISORDERS; PARKINSON*S AND ALZHEIMER*S DISEASE SCHERING AKTIENGESEELLSCHAFT (DE) 2001-09-11 US disclosed
EP-1112071-A1 GROWTH HORMONE SECRETAGOGUES Eli Lilly & Company (US) 2001-07-04 EP disclosed
US-6057304-A Quinoxaline-phosphonic acid derivatives SCHERING AKTIENGESELLSCHAFT (DE) 2000-05-02 US disclosed
WO-2000010565-A1 GROWTH HORMONE SECRETAGOGUES ELI LILLY AND COMPANY (US) 2000-03-02 WO disclosed
EP-0933365-A2 Growth hormone secretagogues ELI LILLY AND COMPANY (US) 1999-08-04 EP disclosed
EP-0898963-A2 Congestive heart failure treatment ELI LILLY AND COMPANY (US) 1999-03-03 EP disclosed
WO-1999008699-A1 GROWTH HORMONE SECRETAGOGUES ELI LILLY AND COMPANY (US) 1999-02-25 WO disclosed
WO-1999008697-A1 TREATMENT OF CONGESTIVE HEART FAILURE WITH GROWTH HORMONE SECRETAGOGUES ELI LILLY AND COMPANY (US) 1999-02-25 WO disclosed
US-4837333-A SELECTIVE INHIBITOR OF THROMBOXANE SYNTHETASE ENZYME G. D. SEARLE & CO. (US) 1989-06-06 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 (3 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-20130210795-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF QDPR, DPYD, DDC ANPEP 1339/4885ENPEP 1002/4885PTGS1 1831/4885
US-20110034507-A1 FARNESOID X RECEPTOR AGONISTS NR1H4, NR1H3, NR1H2 ANPEP 4352/4885ENPEP 2071/4885PTGS1 1416/4885
US-20160130230-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF QDPR, DPYD, DDC ANPEP 1339/4885ENPEP 1002/4885PTGS1 1831/4885

“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.