SCHEMBL3910345

SCHEMBL3910345

O=C(O)COc1c(C(=O)O)sc(-c2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2)c1Cl

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 15/20 0.62
PTPRC P08575 2/20 0.53
PTPN2 P17706 2/20 0.53
TRPV1 Q8NER1 1/20 0.46
RORC P51449 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KCNQ3 O43525 1/20 0.44
KCNQ2 O43526 1/20 0.44
KCNE1 P15382 1/20 0.44
KCNQ1 P51787 1/20 0.44
P2RY14 Q15391 1/20 0.44

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
SCHEMBL3916555 0.90 PTPN1 (0.62) PTPN1PTPRCPTPN2TRPV1NPC1
SCHEMBL3906175 0.90 PTPN1 (0.59) PTPN1PTPRCPTPN2NPC1RAB9A
SCHEMBL3909541 0.89 PTPN1 (0.77) PTPN1PTPRCPTPN2
SCHEMBL3906183 0.89 PTPN1 (0.77) PTPN1PTPRCPTPN2
SCHEMBL3906246 0.88 PTPN1 (0.80) PTPN1PTPRCPTPN2
SCHEMBL3903920 0.88 PTPN1 (0.62) PTPN1PTPRCPTPN2TRPV1NPC1
SCHEMBL3906791 0.84 PTPN1 (0.80) PTPN1PTPRCPTPN2
SCHEMBL3904866 0.82 PTPN1 (0.59) PTPN1PTPRCPTPN2
SCHEMBL3916635 0.81 PTPN1 (0.76) PTPN1PTPRCPTPN2
SCHEMBL3914373 0.81 PTPN1 (0.59) PTPN1PTPRCPTPN2

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 PTPN1 11/4885PTPRC 5/4885PTPN2 17/4885

“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.