SCHEMBL1209573

SCHEMBL1209573

CC(CC(=O)O)c1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.56
ITGB3 P05106 7/20 0.50
ITGAV P06756 7/20 0.50
TBXAS1 P24557 2/20 0.50
ITGA2B P08514 3/20 0.49
FFAR1 O14842 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KCNA5 P22460 1/20 0.48
CTSA P10619 1/20 0.48
NAPRT Q6XQN6 1/20 0.47
CFTR P13569 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
GOPC Q9HD26 1/20 0.47
LMNA P02545 1/20 0.46

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
SCHEMBL9467735 0.85 L3MBTL1 (0.51) L3MBTL1TBXAS1SMN1; SMN2KCNA5LMNA
SCHEMBL12883291 0.85 L3MBTL1 (0.51) L3MBTL1TBXAS1SMN1; SMN2KCNA5NAPRT
SCHEMBL2370434 0.85 L3MBTL1 (0.51) L3MBTL1TBXAS1SMN1; SMN2KCNA5NAPRT
SCHEMBL15592461 0.83 ITGB3 (0.51) L3MBTL1ITGB3ITGAVTBXAS1ITGA2B
SCHEMBL9519691 0.83 L3MBTL1 (0.50) L3MBTL1ITGB3ITGAVTBXAS1ITGA2B
SCHEMBL25152114 0.83 ITGB3 (0.51) L3MBTL1ITGB3ITGAVTBXAS1ITGA2B
SCHEMBL27497417 0.83 TBXAS1 (0.58) L3MBTL1TBXAS1SMN1; SMN2
SCHEMBL5856512 0.82 TBXAS1 (0.53) ITGB3ITGAVTBXAS1ITGA2BSMN1; SMN2
SCHEMBL23685636 0.82 L3MBTL1 (0.59) L3MBTL1ITGB3ITGAVSMN1; SMN2KCNA5
SCHEMBL23685640 0.82 L3MBTL1 (0.59) L3MBTL1ITGB3ITGAVSMN1; SMN2KCNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170152443-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHI MEI CORPORATION (TW) 2017-06-01 US disclosed
US-20170152443-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHI MEI CORPORATION (TW) 2017-06-01 US disclosed
US-9062028-B2 Bicyclic nitrogen containing heteroaryl TGR5 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2015-06-23 US disclosed
US-20140080788-A1 NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2014-03-20 US disclosed
EP-1389616-B1 3,4-Dihalobenzylpiperidine derivatives and their medical use MITSUBISHI TANABE PHARMA CORP (JP) 2011-07-27 EP disclosed
US-20110044938-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES NYCOMED GMBH (DE) 2011-02-24 US disclosed
US-20100324038-A1 TETRAHYDROPYRIDOTHIOPHENES FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER PEKARI KLAUS 2010-12-23 US disclosed
US-20100285149-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES 4SC AG (DE) 2010-11-11 US disclosed
US-7714135-B2 Tetrahydropyridothiophenes for the treatment of proliferative diseases such as cancer 4SC AG (DE) 2010-05-11 US disclosed
US-7714136-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-05-11 US disclosed
US-20040158071-A1 Chemokine inhibitors and stability in blood MITSUBISHI PHARMA CORPORATION (JP) 2004-08-12 US disclosed
CN-1505626-A Novel benzylpiperidine compound ������ҩ��ʽ���� 2004-06-16 CN disclosed
EP-1389616-A1 NOVEL BENZYLPIPERIDINE COMPOUND Mitsubishi Pharma Corporation (JP) 2004-02-18 EP disclosed
US-5624922-A Aryl-fused and hetaryl-fused-2,4-diazepine and 2,4-diazocine antiarrhythmic agents STERLING WINTHROP INC. (US) 1997-04-29 US disclosed
EP-0597540-B1 Aryl-fused and hetaryl-fused-2,4-diazocine antiarrhythmic agents STERLING WINTHROP INC (US) 1996-06-05 EP disclosed
US-5380721-A Aryl-fused and hetaryl-fused-2,4-diazepine and 2,4-diazocine antiarrhythmic agents STERLING WINTHROP INC. (US) 1995-01-10 US disclosed
EP-0597540-A1 Aryl-fused and hetaryl-fused-2,4-diazocine antiarrhythmic agents STERLING WINTHROP INC. (US) 1994-05-18 EP disclosed
US-4649141-A HISTAMINE ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1987-03-10 US disclosed
US-4539207-A Pyrimidine compounds SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-09-03 US disclosed
US-4234588-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-11-18 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 (5 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-20100285149-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES BAX, CCAR2, BCL2 L3MBTL1 2017/4885ITGB3 4428/4885ITGAV 4536/4885
US-20100324038-A1 TETRAHYDROPYRIDOTHIOPHENES FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER CCNT1, MALT1, CCNA1 L3MBTL1 1853/4885ITGB3 3651/4885ITGAV 4677/4885
US-20110044938-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES BAX, BCL2, BAD L3MBTL1 1169/4885ITGB3 4171/4885ITGAV 4424/4885
US-20140080788-A1 NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS GRK5, GPBAR1, GPR55 L3MBTL1 2559/4885ITGB3 4316/4885ITGAV 3962/4885
US-20040158071-A1 Chemokine inhibitors and stability in blood CCL2, CXCR1, CCR5 L3MBTL1 3984/4885ITGB3 1498/4885ITGAV 922/4885

“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.