SCHEMBL4626756

SCHEMBL4626756

CCCC[Sn](CCCC)(CCCC)c1ccc(OC)nc1C=O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 4/20 0.34
GSR P00390 1/20 0.34
ERN1 O75460 1/20 0.32
PDE10A Q9Y233 2/20 0.32
GAA P10253 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL6961145 0.77 PDE10A (0.36) TXNRD1GSRERN1PDE10AGAA
SCHEMBL2083596 0.72 TRIM24 (0.32) GAATDP1L3MBTL1
SCHEMBL29779695 0.68 PDE10A (0.35) TXNRD1GSRPDE10A
SCHEMBL153619 0.68 PDE10A (0.35) TXNRD1GSRPDE10A
SCHEMBL4980644 0.68 ERN1 (0.46) ERN1TDP1
SCHEMBL30901452 0.68 CCR4 (0.32)
SCHEMBL28153665 0.68 ERN1 (0.46) ERN1PDE10ATDP1L3MBTL1
SCHEMBL4320020 0.68 ERN1 (0.41) ERN1TDP1
SCHEMBL21274147 0.68 CCR4 (0.32)
SCHEMBL2261210 0.68 CYP1A2 (0.44) ERN1PDE10ATDP1L3MBTL1

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
EP-1633716-A4 BIARYLMETHYL INDOLINES, INDOLES AND TETRAHYDROQUINOLINES, USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-03-26 EP disclosed
US-7129264-B2 Biarylmethyl indolines and indoles as antithromboembolic agents BRISTOL-MYERS SQUIBB COMPANY (US) 2006-10-31 US disclosed
EP-1633716-A2 BIARYLMETHYL INDOLINES, INDOLES AND TETRAHYDROQUINOLINES, USEFUL AS SERINE PROTEASE INHIBITORS Bristol-Myers Squibb Company (US) 2006-03-15 EP disclosed
WO-2004094372-A2 COMPOUNDS USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-04 WO disclosed
US-20040220206-A1 Biarylmethyl indolines, indoles and tetrahydroquinolines, useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-11-04 US disclosed
US-6642252-B2 Anticoagulants in treating and preventing cardiovascular diseases, as anti-inflammatory agents, and as metastasis inhibitors in treating cancer. BRISTOL-MYERS SQUIBB COMPANY 2003-11-04 US disclosed
US-20030166685-A1 Acid derivatives useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-09-04 US disclosed
EP-1332131-A2 ACID DERIVATIVES USEFUL AS SERINE PROTEASE INHIBITORS Bristol-Myers Squibb Company (US) 2003-08-06 EP disclosed
WO-2002042273-A2 ACID DERIVATIVES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-05-30 WO disclosed
US-6358960-B1 FOR THERAPY OF INTRAVASCULAR COAGULATION, CORONARY THROMBOSIS, CEREBRAL INFARCTION, CEREBRAL EMBOLISM, TRANSIENT ISCHEMIC ATTACK, CEREBROVASCULAR DISORDERS, PULMONARY VASCULAR DISEASES, DEEP VENOUS THROMBOSIS, ETC. ONO PHARMACEUTICAL CO., LTD. (JP) 2002-03-19 US disclosed
EP-1078917-A1 AMIDINO DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-02-28 EP 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 (2 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-20040220206-A1 Biarylmethyl indolines, indoles and tetrahydroquinolines, useful as serine protease inhibitors TFPI, TFPI2, F2 TXNRD1 4467/4885GSR 4798/4885ERN1 2733/4885
US-20030166685-A1 Acid derivatives useful as serine protease inhibitors F9, F11, F12 TXNRD1 3967/4885GSR 4383/4885ERN1 466/4885

“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.