SCHEMBL16865509

SCHEMBL16865509

COc1cc(CNC(=O)c2ccc3c(c2)C=CC(C)(C)O3)ccc1C

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
COXFA4 O00483 1/20 0.56
HIF1A Q16665 4/20 0.53
EPAS1 Q99814 3/20 0.53
NPC1 O15118 1/20 0.46
HSP90AA1 P07900 2/20 0.46
RECQL P46063 1/20 0.45
HSD17B10 Q99714 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL16694306 0.92 HIF1A (0.62) COXFA4HIF1AEPAS1HSP90AA1RECQL
SCHEMBL16865491 0.85 COXFA4 (0.59) COXFA4HIF1AEPAS1HSP90AA1
SCHEMBL16865564 0.82 HIF1A (0.56) COXFA4HIF1AEPAS1NPC1HSD17B10
SCHEMBL8885308 0.78 MAPT (0.61) COXFA4HIF1AEPAS1NPC1SMN1; SMN2
SCHEMBL8883383 0.77 COXFA4 (0.52) COXFA4HIF1AEPAS1NPC1SMN1; SMN2
SCHEMBL8882813 0.76 MEN1 (0.52) COXFA4HIF1ANPC1RAB9A
SCHEMBL14098880 0.76 COXFA4 (0.61) COXFA4HIF1AEPAS1HSP90AA1
SCHEMBL16694415 0.76 HIF1A (0.66) COXFA4HIF1AEPAS1NPC1HSP90AA1
SCHEMBL16865512 0.76 HIF1A (0.57) COXFA4HIF1AEPAS1HSP90AA1
SCHEMBL16865511 0.76 HIF1A (0.57) COXFA4HIF1AEPAS1HSP90AA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2871187-B1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT SNU R&DB FOUNDATION (KR) 2017-09-20 EP disclosed
US-9745280-B2 Compound or pharmaceutically acceptable salt thereof, and pharmaceutical composition containing same as active ingredient SNU R&DB FOUNDATION (KR) 2017-08-29 US disclosed
US-20160340331-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT SNU R&DB FOUNDATION (KR) 2016-11-24 US disclosed
US-20150183797-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT SNU R&DB FOUNDATION (KR) 2015-07-02 US 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-20150183797-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT HSP90AB1, HSP90AA1, HIF1AN COXFA4 3510/4885HIF1A 5/4885EPAS1 55/4885
US-20160340331-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT HSP90AB1, HSP90AA1, HSP90AB2P COXFA4 3670/4885HIF1A 6/4885EPAS1 72/4885

“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.