SCHEMBL2705253

SCHEMBL2705253

COc1cc(C=C2SC(=O)NC2=S)ccc1Oc1ccc(C#N)cc1C(F)(F)F

nearest known ligand 0.84

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 17/20 0.84
ESRRB O95718 1/20 0.84
ESR1 P03372 1/20 0.84
ESRRG P62508 1/20 0.84
ESR2 Q92731 1/20 0.84
MEN1 O00255 1/20 0.62
ALDH1A1 P00352 1/20 0.62
LMNA P02545 1/20 0.62
MAPT P10636 1/20 0.62
HPGD P15428 1/20 0.62
RECQL P46063 1/20 0.62
KMT2A Q03164 1/20 0.62
CYP3A4 P08684 4/20 0.62
TDP1 Q9NUW8 2/20 0.57

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
SCHEMBL2705251 1.00 ESRRA (0.84) ESRRAESRRBESR1ESRRGESR2
SCHEMBL650140 0.92 ESRRA (1.00) ESRRAESRRBESR1ESRRGESR2
SCHEMBL2699107 0.92 ESRRA (1.00) ESRRAESRRBESR1ESRRGESR2
SCHEMBL31188051 0.92 ESRRA (1.00) ESRRAESRRBESR1ESRRGESR2
SCHEMBL650141 0.92 ESRRA (1.00) ESRRAESRRBESR1ESRRGESR2
SCHEMBL4435911 0.87 ESRRA (0.84) ESRRAESRRBESR1ESRRGESR2
SCHEMBL4435916 0.87 ESRRA (0.84) ESRRAESRRBESR1ESRRGESR2
SCHEMBL8156842 0.83 ESRRA (0.85) ESRRAESRRBESR1ESRRGESR2
SCHEMBL2380997 0.83 ESRRA (0.85) ESRRAESRRBESR1ESRRGESR2
SCHEMBL2380995 0.83 ESRRA (0.85) ESRRAESRRBESR1ESRRGESR2

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 ESRRA 2/4885ESRRB 9/4885ESR1 5/4885
US-20120196864-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR CANCER BRCA1, ESRRA, NR5A1 ESRRA 2/4885ESRRB 9/4885ESR1 5/4885

“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.