SCHEMBL5729623

SCHEMBL5729623

Cc1ccc(/C=C/S(=O)(=O)Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.50
LMNA P02545 1/20 0.49
PPARG P37231 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NFE2L2 Q16236 2/20 0.45
TLR9 Q9NR96 1/20 0.45
PTGES2 Q9H7Z7 1/20 0.44
FBP1 P09467 1/20 0.44
ALOX5 P09917 1/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
USP2 O75604 1/20 0.43
MAPT P10636 2/20 0.42
RELA Q04206 1/20 0.42
CA1 P00915 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
FOS P01100 1/20 0.40
JUN P05412 1/20 0.40

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
SCHEMBL5729627 1.00 CYP2A6 (0.50) CYP2A6LMNAPPARGMEN1KMT2A
SCHEMBL13012173 0.94 LMNA (0.45) CYP2A6LMNAPPARGMEN1KMT2A
SCHEMBL8790770 0.82 LMNA (0.51) CYP2A6LMNAPPARGMEN1KMT2A
SCHEMBL950722 0.80 HSD17B10 (0.52) PPARGNFE2L2PTGES2FBP1ALOX5
SCHEMBL950718 0.80 HSD17B10 (0.52) PPARGNFE2L2PTGES2FBP1ALOX5
SCHEMBL11336851 0.79 MAOB (0.50) PTGS2MAOB
SCHEMBL11336850 0.79 MAOB (0.50) PTGS2MAOB
SCHEMBL1122349 0.78 KMT2A (0.47) MEN1KMT2ANFE2L2FBP1ALOX5
SCHEMBL8414375 0.78 APP (0.41) LMNAPPARGNFE2L2PTGS1CA1
SCHEMBL947253 0.78 PTGES2 (0.44) PPARGPTGES2CA1TUBB4ATUBB

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
US-9216954-B2 Serine racemase inhibitor NATIONAL UNIVERSITY CORPORATION UNIVERSITY OF TOYAMA (JP) 2015-12-22 US disclosed
US-9216954-B2 Serine racemase inhibitor NATIONAL UNIVERSITY CORPORATION UNIVERSITY OF TOYAMA (JP) 2015-12-22 US disclosed
US-9145380-B2 Bis-(sulfonylamino) derivatives for use in therapy ASTRAZENECA AB (SE) 2015-09-29 US disclosed
US-20140371291-A1 SERINE RACEMASE INHIBITOR NATIONAL UNIVERSITY CORPORATION UNIVERSITY OF TOYAMA (JP) 2014-12-18 US disclosed
US-20140371291-A1 SERINE RACEMASE INHIBITOR NATIONAL UNIVERSITY CORPORATION UNIVERSITY OF TOYAMA (JP) 2014-12-18 US disclosed
EP-2808014-A1 SERINE RACEMASE INHIBITOR National University Corporation University Of Toyama (JP) 2014-12-03 EP disclosed
WO-2013111798-A1 SERINE RACEMASE INHIBITOR 国立大学法人 富山大学 (JP) 2013-08-01 WO disclosed
US-20100331321-A1 Bis-(Sulfonylamino) derivatives for use in therapy ASTRAZENECA AB (SE) 2010-12-30 US disclosed
EP-1188755-B1 ACYLHYDRAZINE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2006-05-03 EP disclosed
US-6723722-B1 BLOOD COAGULATION FACTOR X INHIBITORS; ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-04-20 US disclosed
EP-1188755-A1 ACYLHYDRAZINE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-03-20 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-20140371291-A1 SERINE RACEMASE INHIBITOR SRR, PRSS1, ME1 CYP2A6 2914/4885LMNA 3748/4885PPARG 4614/4885
US-20100331321-A1 Bis-(Sulfonylamino) derivatives for use in therapy PTGER1, SULT2A1, SULT1E1 CYP2A6 39/4885LMNA 1049/4885PPARG 344/4885

“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.