SCHEMBL17700709

SCHEMBL17700709

CN(Cc1cc(NC(=O)CCc2cc(Br)ccc2OCC(F)F)cc(F)c1OC(CF)CF)C(=O)OCC[Si](C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL16293460 0.93 LMNA (0.35) LMNAALDH1A1TSHRALOX12MAPK1
SCHEMBL16296562 0.92
SCHEMBL16296623 0.90 MTNR1B (0.37)
SCHEMBL17705282 0.87 LMNA (0.38) LMNAALDH1A1TSHRALOX12MAPK1
SCHEMBL18892538 0.84 LMNA (0.36) LMNAALDH1A1TSHRALOX12MAPK1
SCHEMBL17700694 0.81 PTGES (0.34) LMNAALDH1A1MAPK1HSD17B10MEN1
SCHEMBL17705278 0.79 LMNA (0.41) LMNAALDH1A1TSHRALOX12MAPK1
SCHEMBL18892424 0.77 LMNA (0.39) LMNAALDH1A1TSHRALOX12MAPK1
SCHEMBL16293856 0.76 POLB (0.37) LMNAALDH1A1TSHRMEN1KMT2A
SCHEMBL17700672 0.73 GSTO1 (0.32) LMNA

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 LMNA 963/4885ALDH1A1 2603/4885TSHR 1201/4885

“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.