SCHEMBL5769080

SCHEMBL5769080

COC(=O)C[C@H](N)c1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.44
RAB9A P51151 2/20 0.41
KMT2A Q03164 2/20 0.41
ATM Q13315 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
ADRB2 P07550 2/20 0.41
ADRB1 P08588 2/20 0.41
AOC3 Q16853 1/20 0.41
CTSA P10619 4/20 0.40
CYP2D6 P10635 1/20 0.40
NFKB1 P19838 1/20 0.40
HIF1A Q16665 1/20 0.40
MAPT P10636 1/20 0.39
NISCH Q9Y2I1 1/20 0.39
FDFT1 P37268 1/20 0.39

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
SCHEMBL5693549 1.00 CASP1 (0.44) CASP1RAB9AKMT2AATMMEN1
SCHEMBL14417347 1.00 CASP1 (0.44) CASP1RAB9AKMT2AATMMEN1
SCHEMBL13802834 0.88 CYP1A2 (0.49) RAB9AKMT2AMEN1LMNACYP2D6
SCHEMBL12861466 0.87 KMT2A (0.48) RAB9AKMT2AATMMEN1LMNA
SCHEMBL12498544 0.86 CASP1 (0.54) CASP1RAB9AKMT2AMEN1LMNA
SCHEMBL8299927 0.86 CASP1 (0.54) CASP1RAB9AKMT2AMEN1LMNA
SCHEMBL29839087 0.86 CASP1 (0.54) CASP1RAB9AKMT2AMEN1LMNA
SCHEMBL12524006 0.85 CFD (0.52) HTTCTSAMAPT
SCHEMBL14662635 0.83 ESR1 (0.46) ATMCTSA
SCHEMBL381854 0.82 HTT (0.50) HTTCTSA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2683699-B1 DI- AND TRI-SUBSTITUTED OXATHIAZINE DERIVATES, METHOD FOR THE PRODUCTION THEREOF, USE THEREOF AS MEDICINE AND DRUG CONTAINING SAID DERIVATIVES AND USE THEREOF SANOFI SA (FR) 2015-06-24 EP disclosed
EP-2683705-B1 DI- AND TRI-SUBSTITUTED OXATHIAZINE DERIVATES, METHOD FOR THE PRODUCTION THEREOF, USE THEREOF AS MEDICINE AND DRUG CONTAINING SAID DERIVATIVES AND USE THEREOF SANOFI SA (FR) 2015-04-22 EP disclosed
EP-2683700-B1 TETRA-SUBSTITUTED OXATHIAZINE DERIVATIVES, METHOD FOR THEIR PREPARATION, THEIR USAGE AS MEDICAMENT AND MEDICAMENT CONTAINING SAME AND ITS USE SANOFI SA (FR) 2015-02-18 EP disclosed
EP-2683700-A1 TETRASUBSTITUTED OXATHIAZINE DERIVATIVES, METHOD FOR PRODUCING THEM, THEIR USE AS MEDICINE AND DRUG CONTAINING SAID DERIVATIVES AND THE USE THEREOF SANOFI (FR) 2014-01-15 EP disclosed
EP-2683699-A1 DI- AND TRI-SUBSTITUTED OXATHIAZINE DERIVATES, METHOD FOR THE PRODUCTION THEREOF, USE THEREOF AS MEDICINE AND DRUG CONTAINING SAID DERIVATIVES AND USE THEREOF SANOFI (FR) 2014-01-15 EP disclosed
EP-2683705-A1 DI- AND TRI-SUBSTITUTED OXATHIAZINE DERIVATES, METHOD FOR THE PRODUCTION THEREOF, USE THEREOF AS MEDICINE AND DRUG CONTAINING SAID DERIVATIVES AND USE THEREOF SANOFI (FR) 2014-01-15 EP disclosed
WO-2012120054-A1 DI- AND TRI-SUBSTITUTED OXATHIAZINE DERIVATES, METHOD FOR THE PRODUCTION THEREOF, USE THEREOF AS MEDICINE AND DRUG CONTAINING SAID DERIVATIVES AND USE THEREOF SANOFI (FR) 2012-09-13 WO disclosed
WO-2012120056-A1 TETRASUBSTITUTED OXATHIAZINE DERIVATIVES, METHOD FOR PRODUCING THEM, THEIR USE AS MEDICINE AND DRUG CONTAINING SAID DERIVATIVES AND THE USE THEREOF SANOFI (FR) 2012-09-13 WO disclosed
WO-2012120055-A1 DI- AND TRI-SUBSTITUTED OXATHIAZINE DERIVATES, METHOD FOR THE PRODUCTION THEREOF, USE THEREOF AS MEDICINE AND DRUG CONTAINING SAID DERIVATIVES AND USE THEREOF SANOFI (FR) 2012-09-13 WO disclosed
US-20070225320-A1 PROCESS FOR PREPARING CLOPIDOGREL DR. REDDY'S LABORATORIES, INC. 2007-09-27 US disclosed
EP-1638944-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-03-29 EP disclosed
WO-2005000821-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-01-06 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 (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-20070225320-A1 PROCESS FOR PREPARING CLOPIDOGREL PFKP, SELP, P2RY13 CASP1 3089/4885RAB9A 1270/4885KMT2A 3388/4885

“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.