SCHEMBL2894833

SCHEMBL2894833

CC(C)(C)OC(=O)Nc1c(F)cccc1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.50
MRGPRX4 Q96LA9 1/20 0.47
BRD4 O60885 2/20 0.47
PTGER1 P34995 2/20 0.45
CYP2C9 P11712 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CASP3 P42574 2/20 0.44
RAB9A P51151 2/20 0.44
SENP7 Q9BQF6 2/20 0.44
KDM4E B2RXH2 1/20 0.44
KDM1A O60341 2/20 0.43
PPIA P62937 2/20 0.43
SGMS2 Q8NHU3 1/20 0.43
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42

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
SCHEMBL8407940 0.87 NPC1 (0.54) NPC1MRGPRX4BRD4MEN1KMT2A
SCHEMBL8431920 0.85 NPC1 (0.54) NPC1MRGPRX4BRD4MEN1KMT2A
SCHEMBL2889547 0.82 CYP2C9 (0.47) NPC1BRD4PTGER1CYP2C9MEN1
SCHEMBL6230397 0.82 CYP2C9 (0.43) NPC1BRD4PTGER1CYP2C9MEN1
SCHEMBL7342794 0.81 BRD4 (0.68) NPC1BRD4PTGER1CYP2C9KMT2A
SCHEMBL14908404 0.80 KMT2A (0.49) NPC1MEN1KMT2AKDM4EPDK1
SCHEMBL1610508 0.80 NLRP3 (0.53) NPC1MEN1KMT2ARAB9ALMNA
SCHEMBL28609842 0.80 SCN9A (0.42) MEN1KMT2ARAB9AMAPTSMN1; SMN2
SCHEMBL30705048 0.79 BRD4 (0.54) NPC1BRD4PTGER1CYP2C9MEN1
SCHEMBL22989898 0.78 NPC1 (0.43) NPC1MEN1KMT2ACASP3RAB9A

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 NPC1 2720/4885MRGPRX4 1553/4885BRD4 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.