SCHEMBL2889296

SCHEMBL2889296

Cc1ccc(CI)c(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.41
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALDH1A1 P00352 2/20 0.40
NLRP3 Q96P20 1/20 0.40
BRD4 O60885 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 1/20 0.39
BRD9 Q9H8M2 1/20 0.39
CYP17A1 P05093 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
TP53 P04637 1/20 0.37

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
SCHEMBL2895708 0.87 CYP1A2 (0.46) CYP1A2CYP2C19CYP2C9HPGDSMN1; SMN2
SCHEMBL17230173 0.85 CYP1A2 (0.45) CYP1A2CYP2C19CYP2C9HPGDSMN1; SMN2
SCHEMBL14628609 0.85 KMT2A (0.41) CYP1A2CYP2C19CYP2C9HPGDSMN1; SMN2
SCHEMBL7953132 0.84 CYP1A2 (0.44) CYP1A2CYP2C19CYP2C9HPGDSMN1; SMN2
SCHEMBL4568021 0.83 CYP1A2 (0.43) CYP1A2CYP2C19CYP2C9HPGDSMN1; SMN2
SCHEMBL646786 0.82 LMNA (0.48) POLBALDH1A1BRD4MAPTLMNA
SCHEMBL4568018 0.80 NLRP3 (0.55) CYP1A2CYP2C19CYP2C9HPGDSMN1; SMN2
SCHEMBL2031546 0.78 KCNMA1 (0.54) CYP1A2CYP2C19CYP2C9HPGDSMN1; SMN2
SCHEMBL3290332 0.78 CYP1A2 (0.46) CYP1A2CYP2C19CYP2C9HPGDSMN1; SMN2
SCHEMBL3407965 0.77 HPGD (0.49) CYP1A2CYP2C19CYP2C9HPGDSMN1; SMN2

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 CYP1A2 2390/4885CYP2C19 3101/4885CYP2C9 3656/4885

“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.