SCHEMBL3908211

SCHEMBL3908211

COc1ccc(-c2sc(C(=O)O)c(OCC(=O)O)c2C)cc1/C=C/C(=O)NCC(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 3/20 0.46
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTPN1 P18031 14/20 0.41
PTPRC P08575 1/20 0.36
PTPN2 P17706 1/20 0.36

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
SCHEMBL3908214 1.00 TNFRSF1A (0.46) TNFRSF1AKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL3907934 0.91 TNFRSF1A (0.45) TNFRSF1AKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL3906798 0.91 PTPN1 (0.54) KDM4EALDH1A1MAPTSMN1; SMN2PTPN1
SCHEMBL3906804 0.91 PTPN1 (0.54) KDM4EALDH1A1MAPTSMN1; SMN2PTPN1
SCHEMBL3907939 0.91 TNFRSF1A (0.45) TNFRSF1AKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL3917494 0.86 TNFRSF1A (0.50) TNFRSF1APTPN1PTPRCPTPN2
SCHEMBL3917496 0.86 TNFRSF1A (0.50) TNFRSF1APTPN1PTPRCPTPN2
SCHEMBL3911118 0.81 PTPN1 (0.51) TNFRSF1AKDM4EALDH1A1MAPTPTPN1
SCHEMBL3905698 0.78 KDM4E (0.42) TNFRSF1AKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL3905695 0.78 KDM4E (0.42) TNFRSF1AKDM4EALDH1A1MAPTSMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7521473-B2 Inhibitors of protein tyrosine phosphatase 1B WYETH (US) 2009-04-21 US disclosed
US-20050203087-A1 Inhibitors of protein tyrosine phosphatase 1B WYETH 2005-09-15 US disclosed
WO-2005081954-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B WYETH (US) 2005-09-09 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-20050203087-A1 Inhibitors of protein tyrosine phosphatase 1B PTPRO, PTPRS, PTPRM TNFRSF1A 1488/4885KDM4E 561/4885ALDH1A1 2158/4885

“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.