SCHEMBL17705277

SCHEMBL17705277

CN(C)Cc1cc(NC(=O)CCc2cc(OBO)ccc2OCC(F)F)cc(F)c1OCC(F)F

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.34
ALDH1A1 P00352 2/20 0.32
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
KDM4E B2RXH2 2/20 0.31
FOS P01100 1/20 0.31
JUN P05412 1/20 0.31
FFAR1 O14842 2/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
SLC6A4 P31645 1/20 0.30

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
SCHEMBL17705283 0.92 BRD4 (0.31) BRD4
SCHEMBL17705278 0.86 LMNA (0.41) ALDH1A1KDM4ESLC6A4
SCHEMBL17705260 0.81 BRD4 (0.34) BRD4ALDH1A1SLC6A4
SCHEMBL17705282 0.79 LMNA (0.38) ALDH1A1KDM4E
SCHEMBL16293560 0.74 NLRP3 (0.30)
SCHEMBL16293460 0.74 LMNA (0.35) ALDH1A1KDM4E
SCHEMBL18892538 0.71 LMNA (0.36) ALDH1A1
SCHEMBL17705265 0.71 BRD4 (0.45) BRD4ALDH1A1SLC6A4
SCHEMBL17705225 0.69 MEN1 (0.34) BRD4ALDH1A1SLC6A4
SCHEMBL16294038 0.68 POLB (0.32) ALDH1A1FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9657006-B2 Macrocyclic factor VIIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-23 US disclosed
US-20160115159-A1 MACROCYCLIC FACTOR VIIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-04-28 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 (1 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-20160115159-A1 MACROCYCLIC FACTOR VIIA INHIBITORS F7, F12, F5 BRD4 3808/4885ALDH1A1 2603/4885ROCK2 2507/4885

“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.