SCHEMBL186141

SCHEMBL186141

CC(=O)Nc1ncc(C(=O)O)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.53
FFAR2 O15552 1/20 0.51
CCNE1 P24864 8/20 0.50
CDK2 P24941 8/20 0.50
CDK5 Q00535 1/20 0.50
CCNE2 O96020 6/20 0.48
CDK1 P06493 3/20 0.47
CDK4 P11802 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
CCNB2 O95067 2/20 0.44
CCNB1 P14635 2/20 0.44
CCND1 P24385 2/20 0.44
CCNB3 Q8WWL7 2/20 0.44
CSNK2A2 P19784 1/20 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
SCHEMBL4522999 0.87 CCNE1 (0.59) CCNE1CDK2CDK5CCNE2CDK1
SCHEMBL2370795 0.86 FFAR2 (0.53) FFAR2CCNE1CDK2CDK5CCNE2
SCHEMBL5216255 0.84 CCNE1 (0.46) CCNE1CDK2CDK5CCNE2CDK1
Acetic Acid SCHEMBL2691786 0.82 CCNE1 (0.45) FFAR2CCNE1CDK2CDK5CCNE2
SCHEMBL4256153 0.81 RAB9A (0.65) HCAR2FFAR2CCNE1CDK2CDK5
SCHEMBL20819347 0.81 CCNE1 (0.64) HCAR2FFAR2CCNE1CDK2CDK5
SCHEMBL13543136 0.81 SMN1; SMN2 (0.60) CCNE1CDK2CDK5CCNE2CDK1
SCHEMBL4523132 0.80 CCNE1 (0.46) CCNE1CDK2CDK5CCNE2CDK1
SCHEMBL3045677 0.79 CCNE1 (0.51) HCAR2FFAR2CCNE1CDK2CDK5
SCHEMBL6883628 0.79 FFAR2 (0.49) HCAR2FFAR2CCNE1CDK2CDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117616011-A Inhibitors of transglutaminase 策迪拉有限公司 2024-02-27 CN disclosed
CN-117561240-A Inhibitors of transglutaminase 策迪拉有限公司 2024-02-13 CN disclosed
CN-105143222-B Glycosidase inhibitor 默克专利有限公司 2018-02-02 CN disclosed
CN-105143222-A Glycosidase inhibitors MERCK PATENT GMBH 2015-12-09 CN disclosed
CN-102414177-B Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT 2014-07-02 CN disclosed
US-20130281708-A1 Process for the Production of 2-Amino-5-Fluorothiazole TAKEDA CALIFORNIA, INC. (US) 2013-10-24 US disclosed
US-20130281708-A1 Process for the Production of 2-Amino-5-Fluorothiazole TAKEDA CALIFORNIA, INC. (US) 2013-10-24 US disclosed
US-8530461-B2 Azetidine derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-10 US disclosed
US-20130172312-A1 Azetidine Derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-04 US disclosed
US-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 US disclosed
EP-2401256-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2013-04-17 EP disclosed
EP-2547667-A1 PROCESS FOR THE PRODUCTION OF 2-AMINO-5-FLUOROTHIAZOLE Takeda California, Inc. (US) 2013-01-23 EP disclosed
CN-102414177-A Compounds as bradykinin b1 antagonists BOEHRINGER INGELHEIM INT 2012-04-11 CN disclosed
EP-2401256-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-01-04 EP disclosed
WO-2011115758-A1 PROCESS FOR THE PRODUCTION OF 2-AMINO-5-FLUOROTHIAZOLE TAKEDA SAN DIEGO, INC. (US) 2011-09-22 WO disclosed
WO-2010146351-A1 INDOLYLMETHYL-MORPHOLINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2010-12-23 WO disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 US disclosed
WO-2010097372-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 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 (4 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-20130172312-A1 Azetidine Derivatives GPR119, LIPE, LPL HCAR2 1867/4885FFAR2 235/4885CCNE1 4659/4885
US-20130131075-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 HCAR2 1304/4885FFAR2 1538/4885CCNE1 1011/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 HCAR2 1304/4885FFAR2 1538/4885CCNE1 1011/4885
US-20130281708-A1 Process for the Production of 2-Amino-5-Fluorothiazole GFPT1, PFAS, PFKFB4 HCAR2 3345/4885FFAR2 896/4885CCNE1 100/4885

“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.