SCHEMBL2699400

SCHEMBL2699400

O=C1NC(=S)/C(=C/c2ccc(OCc3ccc(C(F)(F)F)cc3C(F)(F)F)cc2Cl)S1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HPGD P15428 12/20 0.50
PTPN1 P18031 7/20 0.49
FOXM1 Q08050 1/20 0.48

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
SCHEMBL2699406 1.00 HPGD (0.50) HPGDPTPN1FOXM1
SCHEMBL2699391 0.91 HPGD (0.62) HPGDPTPN1FOXM1
SCHEMBL2699394 0.91 HPGD (0.62) HPGDPTPN1FOXM1
SCHEMBL2701599 0.89 FOXM1 (0.50) HPGDPTPN1FOXM1
SCHEMBL2701595 0.89 FOXM1 (0.50) HPGDPTPN1FOXM1
SCHEMBL2698795 0.88 FOXM1 (0.57) HPGDPTPN1FOXM1
SCHEMBL2698797 0.88 FOXM1 (0.57) HPGDPTPN1FOXM1
SCHEMBL4278982 0.85 HPGD (0.59) HPGDPTPN1FOXM1
SCHEMBL2700088 0.82 ESRRA (0.53) HPGDPTPN1FOXM1
SCHEMBL2700083 0.82 ESRRA (0.53) HPGDPTPN1FOXM1

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-20130040951-A9 PROPHYLACTIC OR THERAPEUTIC AGENT FOR CANCER TAKEDA PHARMACEUTICAL COMPANY LIMITED 2013-02-14 US disclosed
US-20120196864-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR CANCER TAKEDA PHARMACEUTICAL COMPANY LIMITED 2012-08-02 US disclosed
EP-2450352-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR CANCER Takeda Pharmaceutical Company Limited (JP) 2012-05-09 EP 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 (2 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-20130040951-A9 PROPHYLACTIC OR THERAPEUTIC AGENT FOR CANCER BRCA1, ESRRA, NR5A1 HPGD 485/4885PTPN1 442/4885FOXM1 206/4885
US-20120196864-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR CANCER BRCA1, ESRRA, NR5A1 HPGD 485/4885PTPN1 442/4885FOXM1 206/4885

“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.