SCHEMBL3134902

SCHEMBL3134902

NC(CCC(=O)O)c1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.49
HPGD P15428 2/20 0.49
CYP2C9 P11712 2/20 0.49
HTT P42858 1/20 0.49
ALDH1A1 P00352 3/20 0.47
TDP1 Q9NUW8 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MC4R P32245 1/20 0.44
MC5R P33032 1/20 0.44
MC1R Q01726 1/20 0.44
METAP2 P50579 3/20 0.44
METAP1 P53582 3/20 0.44
ACP3 P15309 3/20 0.43
CYP1A2 P05177 2/20 0.42
FFAR1 O14842 1/20 0.42
AKR1B1 P15121 1/20 0.42
AURKA O14965 1/20 0.41
RPS6KB1 P23443 1/20 0.41
AURKB Q96GD4 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL1520324 0.83 HPGD (0.59) CYP2C19HPGDCYP2C9HTTALDH1A1
SCHEMBL5720984 0.83 HPGD (0.59) CYP2C19HPGDCYP2C9HTTALDH1A1
SCHEMBL29666532 0.83 HPGD (0.59) CYP2C19HPGDCYP2C9HTTALDH1A1
SCHEMBL16541031 0.83 HPGD (0.59) CYP2C19HPGDCYP2C9HTTALDH1A1
SCHEMBL6503232 0.82 CYP2C19 (0.50) CYP2C19HPGDCYP2C9HTTALDH1A1
SCHEMBL250818 0.81 CYP2C19 (0.49) CYP2C19HPGDCYP2C9HTTALDH1A1
SCHEMBL27222140 0.80 CYP2C19 (0.47) CYP2C19HPGDCYP2C9HTTALDH1A1
SCHEMBL4195634 0.80 CYP2C19 (0.47) CYP2C19HPGDCYP2C9HTTALDH1A1
Oxalic Acid SCHEMBL17065865 0.79 ALDH1A1 (0.48) CYP2C19HPGDCYP2C9HTTALDH1A1
SCHEMBL27346979 0.78 CYP2C19 (0.47) CYP2C19HPGDCYP2C9HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020023502-A1 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF AILERON THERAPEUTICS, INC. (US) 2020-01-30 WO disclosed
US-20180042899-A1 Method of Treating Transplant Rejection and Autoimmune Diseases NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-02-15 US disclosed
US-20140050694-A1 Method of Treating Transplant Rejection and Autoimmune Diseases WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-02-20 US disclosed
US-20100092578-A1 PROTEIN KINASE C IOTA NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-04-15 US disclosed
US-7642400-B2 Transgenic animals, inhibitors of PKC iota signaling, methods for inhibiting PKC iota signaling, identifying inhibitors of PKC iota signaling, and methods for diagnosing cancer MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2010-01-05 US disclosed
US-20090143279-A1 Methods and compositions for treating metabolic disorders PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2009-06-04 US disclosed
WO-2008156654-A2 CYTOSKELETON MODULATORS FOR TREATING METABOLIC DISORDERS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-12-24 WO disclosed
US-20070283451-A1 Protein Kinase C Iota NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-12-06 US disclosed
US-6787125-B1 DISPENSING NEMATODE WORMS INTO MULTI-WELL PLATE CONTAINING CARBOXYMETHYL CELLULOSE; CONTACTING WITH CHEMICAL; DETECTING A SIGNAL INDICATING CHANGES; DRUG SCREENING; HIGH THROUGHPUT ASSAY DEVGEN NV (BE) 2004-09-07 US disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO 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-20090143279-A1 Methods and compositions for treating metabolic disorders PC, PCK2, CS CYP2C19 2872/4885HPGD 503/4885CYP2C9 3845/4885

“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.