SCHEMBL1748164

SCHEMBL1748164

CS(=O)(=O)c1nc2cc(Cl)ccc2s1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
LOXL2 Q9Y4K0 1/20 0.49
IDO1 P14902 1/20 0.49
CA2 P00918 1/20 0.46
PPARA Q07869 9/20 0.46
HDAC6 Q9UBN7 1/20 0.46
KAT8 Q9H7Z6 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALOX5 P09917 1/20 0.41
PSMB8 P28062 1/20 0.41
PSMB5 P28074 1/20 0.41

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
SCHEMBL11076755 0.87 NPC1 (0.53) SMN1; SMN2CA2PPARANPC1RAB9A
SCHEMBL3133484 0.85 SMN1; SMN2 (0.50) SMN1; SMN2NPSR1LOXL2IDO1CA2
SCHEMBL11147117 0.81 POLB (0.44) CA2NPC1RAB9APSMB8PSMB5
SCHEMBL9262651 0.80 DYRK1A (0.50) CA2KAT8PSMB8PSMB5
SCHEMBL31038171 0.79 PPARA (0.47) SMN1; SMN2NPSR1LOXL2IDO1CA2
SCHEMBL11583452 0.78 NPC1 (0.48) SMN1; SMN2CA2HDAC6NPC1RAB9A
SCHEMBL11823356 0.78 NPC1 (0.52) SMN1; SMN2CA2PPARANPC1RAB9A
SCHEMBL23540263 0.76 NPC1 (0.65) SMN1; SMN2CA2HDAC6NPC1RAB9A
Hydrochloric Acid SCHEMBL11147127 0.76 CA2 (0.47) CA2NPC1RAB9APSMB8PSMB5
SCHEMBL3654905 0.76 DYRK1A (0.53) CA2PPARAALOX5PSMB8PSMB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8013166-B2 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER HEALTHCARE LLC (US) 2011-09-06 US disclosed
US-8013166-B2 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER HEALTHCARE LLC (US) 2011-09-06 US disclosed
US-8013166-B2 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER HEALTHCARE LLC (US) 2011-09-06 US disclosed
EP-1633722-B1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2011-08-03 EP disclosed
EP-1633722-B1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2011-08-03 EP disclosed
US-7968576-B2 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity SMITH ROGER A 2011-06-28 US disclosed
US-7968576-B2 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity SMITH ROGER A 2011-06-28 US disclosed
US-7968576-B2 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity SMITH ROGER A 2011-06-28 US disclosed
US-20090270468-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity SMITH ROGER 2009-10-29 US disclosed
US-20090270468-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity SMITH ROGER 2009-10-29 US disclosed
US-20060194859-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION (US) 2006-08-31 US disclosed
US-7091228-B2 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION (US) 2006-08-15 US disclosed
CN-1816531-A Process for the preparation of aryl alkyl acid derivatives and their use for the treatment of obesity BAYER PHARMACEUTICALS CORP (US) 2006-08-09 CN disclosed
EP-1633722-A2 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY Bayer Pharmaceuticals Corporation (US) 2006-03-15 EP disclosed
WO-2005003127-A1 BICYCLIC HETEROAROMATIC DERIVATIVES AS MODULATORS OF CXCR3 FUNCTION CELLTECH R & D LIMITED (GB) 2005-01-13 WO disclosed
WO-2004100881-A2 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER PHARMACEUTICALS CORPORATION (US) 2004-11-25 WO disclosed
US-20040224997-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION 2004-11-11 US disclosed
EP-0393574-B1 Hexitol derivatives KYOWA HAKKO KOGYO KK (JP) 1996-01-31 EP disclosed
US-5053408-A Cardiovascular disorders KYOWA HAKKO KOGYO CO., LTD. (JP) 1991-10-01 US disclosed
EP-0393574-A2 Hexitol derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1990-10-24 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 (3 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-20040224997-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity FABP4, GPR119, LIPC SMN1; SMN2 3975/4885NPSR1 1110/4885LOXL2 944/4885
US-20060194859-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity FABP4, GPR119, LIPC SMN1; SMN2 3975/4885NPSR1 1110/4885LOXL2 944/4885
US-20090270468-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity FABP4, GPR119, LIPC SMN1; SMN2 3975/4885NPSR1 1110/4885LOXL2 944/4885

“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.