SCHEMBL3907939

SCHEMBL3907939

COc1ccc(-c2sc(C(=O)O)c(OCC(=O)O)c2Cl)cc1C=CC(=O)NCC(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 2/20 0.45
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
HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL3907934 1.00 TNFRSF1A (0.45) TNFRSF1AKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL3908211 0.91 TNFRSF1A (0.46) TNFRSF1AKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL3908214 0.91 TNFRSF1A (0.46) TNFRSF1AKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL3906804 0.90 PTPN1 (0.54) KDM4EALDH1A1MAPTSMN1; SMN2PTPN1
SCHEMBL3906798 0.90 PTPN1 (0.54) KDM4EALDH1A1MAPTSMN1; SMN2PTPN1
SCHEMBL3915335 0.86 TNFRSF1A (0.49) TNFRSF1AKDM4EPTPN1PTPRCPTPN2
SCHEMBL3915328 0.86 TNFRSF1A (0.49) TNFRSF1AKDM4EPTPN1PTPRCPTPN2
SCHEMBL3908094 0.81 PTPN1 (0.50) TNFRSF1AKDM4EALDH1A1MAPTPTPN1
SCHEMBL3917494 0.76 TNFRSF1A (0.50) TNFRSF1APTPN1PTPRCPTPN2
SCHEMBL3917496 0.76 TNFRSF1A (0.50) TNFRSF1APTPN1PTPRCPTPN2

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.