SCHEMBL5636631

SCHEMBL5636631

COc1cccc(COS(C)(=O)=O)c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.59
AGXT P21549 2/20 0.59
MAOB P27338 6/20 0.51
TAAR1 Q96RJ0 3/20 0.50
CMA1 P23946 1/20 0.50
CTBP2 P56545 1/20 0.48
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
TAS2R14 Q9NYV8 1/20 0.47

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
SCHEMBL1680852 0.89 SMN1; SMN2 (0.52) IDO1AGXTMAOBTAS2R14
SCHEMBL6211173 0.88 IDO1 (0.61) IDO1AGXTMAOBTAAR1CMA1
SCHEMBL3593702 0.86 IDO1 (0.46) IDO1AGXTMAOB
SCHEMBL8063113 0.85 CA2 (0.45) IDO1AGXT
SCHEMBL6211174 0.85 IDO1 (0.57) IDO1AGXTMAOBTAAR1CMA1
SCHEMBL16097270 0.84 FFAR1 (0.46) IDO1AGXTMAOB
SCHEMBL4859900 0.83 TAAR1 (0.56) IDO1AGXTTAAR1CMA1CHRM2
SCHEMBL2587767 0.83 IDO1 (0.60) IDO1AGXTMAOBTAAR1CMA1
SCHEMBL27456382 0.83 IDO1 (0.58) IDO1AGXTMAOBTAAR1CMA1
SCHEMBL15923224 0.83 FFAR1 (0.51)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39679-E1 Substituted heterocycle fused gamma-carbolines BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-06-05 US disclosed
US-7217697-B2 Glucopyranosyloxypyrazole derivative medicinal composition containing the same medicinal use thereof and intermediate therefor KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-05-15 US disclosed
US-20040176308-A1 Glucopyranosyloxypyrazole derivative medicinal composition containing the same medicinal use thereof and intermediate therefor KISSEI PHARMACEUTICAL CO., LTD. (JP) 2004-09-09 US disclosed
US-6713471-B1 SUCH AS TERT-BUTYL-1-METHYL-6,7,9,12-TETRAHYDRO-5H-PYRIDO-(4,3-B)(1,4) THIAZEPINO(2,3,4-HI)INDOLE-11(10H)-CARBOXYLATE; SEROTONIN AGONISTS AND ANTAGONISTS; CENTRAL NERVOUS SYSTEM DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-03-30 US disclosed
EP-1400529-A1 GLUCOPYRANOSYLOXYPYRAZOLE DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF, AND INTERMEDIATE THEREFOR Kissei Pharmaceutical Co., Ltd. (JP) 2004-03-24 EP disclosed
CN-1370176-A Subsstituted heterocycle fused gamma-carbolines BRISTOL MYERS SQUIBB CO (US) 2002-09-18 CN disclosed
EP-1192165-A2 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES Bristol-Myers Squibb Pharma Company (US) 2002-04-03 EP disclosed
WO-2000077010-A2 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES DU PONT PHARMACEUTICALS COMPANY (US) 2000-12-21 WO disclosed
CN-1132508-A Piperazine derivatives REORDATI IND CHIMICA E FARMACE (CH) 1996-10-02 CN 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-20040176308-A1 Glucopyranosyloxypyrazole derivative medicinal composition containing the same medicinal use thereof and intermediate therefor SLC5A1, SLC5A2, UGGT1 IDO1 1899/4885AGXT 128/4885MAOB 1939/4885

“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.