SCHEMBL9893031

SCHEMBL9893031

CCC(C)c1ccc(NC(C)=O)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.73
KMT2A Q03164 5/20 0.68
MEN1 O00255 4/20 0.68
NPSR1 Q6W5P4 2/20 0.64
RAB9A P51151 6/20 0.57
NPC1 O15118 5/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
MAPT P10636 3/20 0.57
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
ALDH1A1 P00352 3/20 0.55
TP53 P04637 1/20 0.55
PKM P14618 1/20 0.55
GAA P10253 1/20 0.54
HTT P42858 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
TDP1 Q9NUW8 1/20 0.52
CA12 O43570 1/20 0.52
BRD4 O60885 1/20 0.52

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
SCHEMBL2097639 0.85 TSHR (0.68) TSHRKMT2AMEN1NPSR1RAB9A
SCHEMBL2097636 0.85 TSHR (0.68) TSHRKMT2AMEN1NPSR1RAB9A
SCHEMBL14237971 0.84 TSHR (0.76) TSHRKMT2AMEN1NPSR1RAB9A
SCHEMBL9891809 0.84 TSHR (0.66) TSHRKMT2AMEN1NPSR1RAB9A
SCHEMBL2091879 0.82 TSHR (0.64) TSHRKMT2AMEN1NPSR1RAB9A
SCHEMBL2091876 0.81 TSHR (0.62) TSHRKMT2AMEN1NPSR1RAB9A
SCHEMBL4078138 0.81 TSHR (0.71) TSHRKMT2AMEN1NPSR1RAB9A
SCHEMBL6382778 0.81 TSHR (0.62) TSHRKMT2AMEN1NPSR1RAB9A
SCHEMBL11963865 0.81 TSHR (0.62) TSHRKMT2AMEN1NPSR1RAB9A
SCHEMBL104524 0.80 SMN1; SMN2 (0.61) TSHRKMT2AMEN1RAB9ANPC1

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
US-11077120-B2 Prostaglandin receptor EP2 antagonists, derivatives, compositions, and uses related thereto EMORY UNIVERSITY (US) 2021-08-03 US disclosed
US-10660877-B2 Pyridyl substituted indole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2020-05-26 US disclosed
US-20200085837-A1 Prostaglandin Receptor EP2 Antagonists, Derivatives, Compositions, and Uses Related Thereto UNIV EMORY (US) 2020-03-19 US disclosed
US-20190262311-A1 PYRIDYL SUBSTITUTED INDOLE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2019-08-29 US disclosed
US-9809583-B2 Oxazolidine-based compound and selective androgen receptor agonist comprising same DONG-A ST CO., LTD. (KR) 2017-11-07 US disclosed
US-20170050955-A1 OXAZOLIDINE-BASED COMPOUND AND SELECTIVE ANDROGEN RECEPTOR AGONIST COMPRISING SAME DONG-A ST CO., LTD. (KR) 2017-02-23 US disclosed
US-20170042905-A1 Prostaglandin Receptor EP2 Antagonists, Derivatives, Compositions, and Uses Related Thereto NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-02-16 US disclosed
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-8372971-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2013-02-12 US disclosed
US-20120309963-A1 5-CYANO-4- (PYRROLO [2,3B] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-06 US disclosed
US-20120220584-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2012-08-30 US disclosed
US-8247421-B2 5-cyano-4-(pyrrolo [2,3B] pyridine-3-yl)-pyrimidine derivatives useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-21 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
US-20100189773-A1 5-CYANO-4- (PYRROLO [2,3] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2010-07-29 US disclosed
EP-0039367-A4 UV-ABSORBING COMPOUNDS AND PHOTOGRAPHIC ELEMENTS CONTAINING THEM. MINNESOTA MINING & MFG (US) 1982-07-12 EP disclosed
US-4323633-A BUTYLATED 2-HYDROXYPHENYL BENZOTRIAZOLE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1982-04-06 US disclosed
EP-0039367-A1 UV-ABSORBING COMPOUNDS AND PHOTOGRAPHIC ELEMENTS CONTAINING THEM MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1981-11-11 EP disclosed
WO-1981001473-A1 UV-ABSORBING COMPOUNDS AND PHOTOGRAPHIC ELEMENTS CONTAINING THEM MINNESOTA MINING & MFG (US) 1981-05-28 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 (10 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-20120220584-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS TSHR 2013/4885KMT2A 2017/4885MEN1 1802/4885
US-11077120-B2 Prostaglandin receptor EP2 antagonists, derivatives, compositions, and uses related thereto PTGER2, PTGES2, PTGES TSHR 1797/4885KMT2A 2359/4885MEN1 4665/4885
US-20100189773-A1 5-CYANO-4- (PYRROLO [2,3] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS MAP3K5, CDK5, MAP3K20 TSHR 3416/4885KMT2A 2310/4885MEN1 3191/4885
US-20170050955-A1 OXAZOLIDINE-BASED COMPOUND AND SELECTIVE ANDROGEN RECEPTOR AGONIST COMPRISING SAME AR, SHBG, MUSK TSHR 401/4885KMT2A 1300/4885MEN1 3697/4885
US-20190262311-A1 PYRIDYL SUBSTITUTED INDOLE COMPOUNDS TLR7, TLR9, TLR1 TSHR 541/4885KMT2A 3061/4885MEN1 2013/4885
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 TSHR 1003/4885KMT2A 3551/4885MEN1 4874/4885
US-10660877-B2 Pyridyl substituted indole compounds TLR7, TLR9, TLR1 TSHR 541/4885KMT2A 3061/4885MEN1 2013/4885
US-20200085837-A1 Prostaglandin Receptor EP2 Antagonists, Derivatives, Compositions, and Uses Related Thereto PTGER2, PTGES2, PTGER1 TSHR 1264/4885KMT2A 2414/4885MEN1 4352/4885
US-20120309963-A1 5-CYANO-4- (PYRROLO [2,3B] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS MAP3K5, CDK5, MAP4K2 TSHR 3472/4885KMT2A 2258/4885MEN1 3294/4885
US-20170042905-A1 Prostaglandin Receptor EP2 Antagonists, Derivatives, Compositions, and Uses Related Thereto PTGER2, PTGES2, PTGER1 TSHR 1264/4885KMT2A 2414/4885MEN1 4352/4885

“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.