SCHEMBL2698909

SCHEMBL2698909

Cc1cc(OCc2ccc(C(F)(F)F)cc2C(F)(F)F)ccc1C=C1SC(=O)NC1=O

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FOXM1 Q08050 1/20 0.61
PTPN1 P18031 16/20 0.60
HPGD P15428 1/20 0.52
ESRRA P11474 1/20 0.51
SRD5A1 P18405 1/20 0.47

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
SCHEMBL2698902 1.00 FOXM1 (0.61) FOXM1PTPN1HPGDESRRASRD5A1
SCHEMBL2701595 0.91 FOXM1 (0.50) FOXM1PTPN1HPGDESRRASRD5A1
SCHEMBL2701599 0.91 FOXM1 (0.50) FOXM1PTPN1HPGDESRRASRD5A1
SCHEMBL2699653 0.89 FOXM1 (0.69) FOXM1PTPN1HPGDESRRA
SCHEMBL2699658 0.89 FOXM1 (0.69) FOXM1PTPN1HPGDESRRA
SCHEMBL2699391 0.89 HPGD (0.62) FOXM1PTPN1HPGD
SCHEMBL2699394 0.89 HPGD (0.62) FOXM1PTPN1HPGD
SCHEMBL4278982 0.84 HPGD (0.59) FOXM1PTPN1HPGD
SCHEMBL2699811 0.82 FOXM1 (0.65) FOXM1PTPN1HPGDESRRA
SCHEMBL2699814 0.82 FOXM1 (0.65) FOXM1PTPN1HPGDESRRA

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 FOXM1 206/4885PTPN1 442/4885HPGD 485/4885
US-20120196864-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR CANCER BRCA1, ESRRA, NR5A1 FOXM1 206/4885PTPN1 442/4885HPGD 485/4885

“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.