SCHEMBL2697151

SCHEMBL2697151

COc1cc(C=C2SC(=O)NC2=S)ccc1OCc1ccc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 11/20 0.64
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 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
FOXM1 Q08050 1/20 0.61
CYP3A4 P08684 2/20 0.55
TDP1 Q9NUW8 2/20 0.54
IGF1R P08069 1/20 0.52
PTPN1 P18031 1/20 0.49
PIM1 P11309 1/20 0.49
PDE4B Q07343 1/20 0.49
PIM3 Q86V86 1/20 0.49
PIM2 Q9P1W9 1/20 0.49
ESRRB O95718 1/20 0.49
ESR1 P03372 1/20 0.49
ESRRG P62508 1/20 0.49

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
SCHEMBL2697148 1.00 ESRRA (0.64) ESRRAMEN1KMT2AALDH1A1LMNA
SCHEMBL2697203 0.92 ESRRA (0.75) ESRRAMEN1KMT2AHPGDFOXM1
SCHEMBL2697205 0.92 ESRRA (0.75) ESRRAMEN1KMT2AHPGDFOXM1
SCHEMBL2696515 0.91 FOXM1 (0.54) ESRRAMEN1KMT2AALDH1A1LMNA
SCHEMBL2696518 0.91 FOXM1 (0.54) ESRRAMEN1KMT2AALDH1A1LMNA
SCHEMBL2700083 0.89 ESRRA (0.53) ESRRAMEN1KMT2AALDH1A1LMNA
SCHEMBL2700088 0.89 ESRRA (0.53) ESRRAMEN1KMT2AALDH1A1LMNA
SCHEMBL2200573 0.87 CISD1 (0.65) ESRRAMEN1KMT2AALDH1A1LMNA
SCHEMBL2698795 0.84 FOXM1 (0.57) ESRRAMEN1KMT2AALDH1A1LMNA
SCHEMBL2698797 0.84 FOXM1 (0.57) ESRRAMEN1KMT2AALDH1A1LMNA

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 2/4885MEN1 850/4885KMT2A 839/4885
US-20120196864-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR CANCER BRCA1, ESRRA, NR5A1 ESRRA 2/4885MEN1 850/4885KMT2A 839/4885

“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.