SCHEMBL2889164

SCHEMBL2889164

Cc1ccc(Cc2cc(F)c(N3CC(=O)N(COCc4ccccc4)S3(=O)=O)c(OCc3ccccc3)c2)c(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 3/20 0.37
CYP2C9 P11712 1/20 0.37
BRD4 O60885 1/20 0.32
PTGER4 P35408 1/20 0.31
PTGER3 P43115 1/20 0.31
PTGER2 P43116 1/20 0.31
PPARA Q07869 1/20 0.31
RORC P51449 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL2897148 0.86 CYP19A1 (0.34) BRD4
SCHEMBL2895211 0.80 PTGER1 (0.33) PTGER1PTGER4PTGER3PTGER2MRGPRX4
SCHEMBL646808 0.73 PTGER1 (0.40) PTGER1CYP2C9BRD4PPARA
SCHEMBL11959262 0.67 BRD4 (0.51) PTGER1CYP2C9BRD4PTGER4PTGER3
SCHEMBL649118 0.65 MRGPRX4 (0.33) PTGER1PTGER4PTGER3PTGER2MRGPRX4
SCHEMBL2897305 0.65 PTPN1 (0.40) PTGER1PTGER4PTGER3PTGER2MRGPRX4
SCHEMBL3926769 0.64 NAMPT (0.39) PTGER1CYP2C9
SCHEMBL4310760 0.62 ATM (0.40) PTGER1CYP2C9PPARA
SCHEMBL647699 0.62 BRD4 (0.41) PTGER1BRD4
SCHEMBL7342794 0.62 BRD4 (0.68) PTGER1CYP2C9BRD4PPARA

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 PTGER1 760/4885CYP2C9 3656/4885BRD4 3725/4885

“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.