SCHEMBL2888702

SCHEMBL2888702

O=C1CN(c2c(F)cc(I)cc2OCc2ccccc2)S(=O)(=O)N1COCc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.35
FFAR1 O14842 1/20 0.34
S1PR5 Q9H228 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
KDM1A O60341 3/20 0.31
CTSV O60911 1/20 0.31
CTSL P07711 1/20 0.31
CHRNA7 P36544 2/20 0.31
PTGER1 P34995 1/20 0.31
NPC1 O15118 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
SCHEMBL2893315 0.79 KDM1A (0.32) S1PR5MRGPRX4KDM1APTGER1
SCHEMBL27745080 0.78 S1PR5 (0.35) FFAR1S1PR5MRGPRX4KDM1A
SCHEMBL2896992 0.78 PTPN1 (0.43) MAPK14FFAR1S1PR5MRGPRX4CTSV
SCHEMBL2897148 0.76 CYP19A1 (0.34)
SCHEMBL629810 0.72 CHRNA7 (0.39) FFAR1CHRNA7
SCHEMBL22412197 0.69 CHRNA7 (0.30) CHRNA7
SCHEMBL22412245 0.69 CHRNA7 (0.30) CHRNA7
SCHEMBL22442026 0.69 CHRNA7 (0.30) CHRNA7
SCHEMBL630191 0.69 CHRNA7 (0.36) CHRNA7
SCHEMBL647698 0.68 CHRNA7 (0.34) MAPK14CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252820-B2 1-orthofluorophenyl substituted 1,2,5-thiazolidinedione derivatives as PTP-as inhibitors NOVARTIS AG (CH) 2012-08-28 US disclosed
US-20100035942-A1 1-orthofluorophenyl substituted 1,2,5-thiazolidinedione derivatives as ptp-as inhibitors NOVARTIS AG (CH) 2010-02-11 US disclosed
EP-1963293-A1 1-ORTHOFLUOROPHENYL SUBSTITUTED 1, 2 , 5-THIAZOLIDINEDIONE DERIVATIVES AS PTP-AS INHIBITORS Novartis AG (CH) 2008-09-03 EP disclosed
WO-2007067612-A1 1-ORTHOFLUOROPHENYL SUBSTITUTED 1, 2, 5-THIAZOLIDINEDIONE DERIVATIVES AS PTP-AS INHIBITORS NOVARTIS AG (CH) 2007-06-14 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-20100035942-A1 1-orthofluorophenyl substituted 1,2,5-thiazolidinedione derivatives as ptp-as inhibitors PTPRS, PTPRF, PTPRO MAPK14 1091/4885FFAR1 201/4885S1PR5 1186/4885

“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.