SCHEMBL2893330

SCHEMBL2893330

O=C(O)C=Cc1cc(F)c(N2CC(=O)NS2(=O)=O)c(OCc2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
LMNA P02545 1/20 0.45
AKR1C3 P42330 9/20 0.43
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
PTGER1 P34995 2/20 0.40
PTGER4 P35408 2/20 0.40
PTGER3 P43115 2/20 0.40
PTGER2 P43116 2/20 0.40
PTPN1 P18031 1/20 0.39
APP P05067 4/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL2895955 0.89 PTPN1 (0.38) KDM4ELMNAALDH1A1PTPN1APP
SCHEMBL23540421 0.84 PTPN1 (0.46) KDM4ELMNAAKR1C3ALDH1A1PKM
SCHEMBL30026978 0.84 PTPN1 (0.46) KDM4ELMNAAKR1C3ALDH1A1PKM
SCHEMBL3919344 0.84 KDM4E (0.53) KDM4ELMNAAKR1C3ALDH1A1PKM
SCHEMBL3919349 0.84 KDM4E (0.53) KDM4ELMNAAKR1C3ALDH1A1PKM
SCHEMBL2896992 0.81 PTPN1 (0.43) PTPN1
SCHEMBL2895984 0.81 PTPN1 (0.45) PTPN1
SCHEMBL2895402 0.81 KDM1A (0.46) PTGER1PTPN1
SCHEMBL2889394 0.81 APP (0.40) KDM4EALDH1A1APPHPGD
SCHEMBL2895219 0.81 PTPN1 (0.43) PTPN1

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 2 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

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 KDM4E 2879/4885LMNA 4853/4885AKR1C3 2281/4885

“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.