SCHEMBL2698795

SCHEMBL2698795

COc1cc(OCc2ccc(C(F)(F)F)cc2C(F)(F)F)ccc1/C=C1\SC(=O)NC1=S

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FOXM1 Q08050 1/20 0.57
PTPN1 P18031 12/20 0.54
ESRRA P11474 2/20 0.49
HPGD P15428 2/20 0.47
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
RECQL P46063 1/20 0.45
KMT2A Q03164 1/20 0.45
CA2 P00918 1/20 0.44
TDP1 Q9NUW8 2/20 0.43

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
SCHEMBL2698797 1.00 FOXM1 (0.57) FOXM1PTPN1ESRRAHPGDMEN1
SCHEMBL2699653 0.91 FOXM1 (0.69) FOXM1PTPN1ESRRAHPGD
SCHEMBL2699658 0.91 FOXM1 (0.69) FOXM1PTPN1ESRRAHPGD
SCHEMBL2701599 0.89 FOXM1 (0.50) FOXM1PTPN1ESRRAHPGDMEN1
SCHEMBL2701595 0.89 FOXM1 (0.50) FOXM1PTPN1ESRRAHPGDMEN1
SCHEMBL5613820 0.88 CA2 (0.61) FOXM1PTPN1ESRRAHPGDMEN1
SCHEMBL2699400 0.88 HPGD (0.50) FOXM1PTPN1HPGD
SCHEMBL2699406 0.88 HPGD (0.50) FOXM1PTPN1HPGD
SCHEMBL2697148 0.84 ESRRA (0.64) FOXM1PTPN1ESRRAHPGDMEN1
SCHEMBL2697151 0.84 ESRRA (0.64) FOXM1PTPN1ESRRAHPGDMEN1

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 442/4885ESRRA 2/4885
US-20120196864-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR CANCER BRCA1, ESRRA, NR5A1 FOXM1 206/4885PTPN1 442/4885ESRRA 2/4885

“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.