SCHEMBL2360745

SCHEMBL2360745

C=CCc1cccc(C[C@H](NC(=O)OC(C)(C)C)c2nc(-c3ccc(NC(=O)OC)cc3CC=C)cn2COCC[Si](C)(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 2/20 0.37
ALDH1A1 P00352 2/20 0.31
LMNA P02545 2/20 0.31
PKM P14618 2/20 0.31
HPGD P15428 2/20 0.31
HTT P42858 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
AGTR1 P30556 1/20 0.31
RAB9A P51151 1/20 0.31
HSD17B10 Q99714 1/20 0.31
DGAT1 O75907 1/20 0.31
CTSS P25774 3/20 0.30
CTSK P43235 3/20 0.30
CTSB P07858 2/20 0.30
GHSR Q92847 1/20 0.30
PTPRB P23467 3/20 0.30
CTSL P07711 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
SCHEMBL615677 0.89 F11 (0.35) F11LMNAMAPTDGAT1SUV39H2
SCHEMBL30480686 0.89 F11 (0.35) F11LMNAMAPTDGAT1SUV39H2
SCHEMBL615676 0.89 F11 (0.35) F11LMNAMAPTDGAT1SUV39H2
SCHEMBL615703 0.88 F11 (0.37) F11ALDH1A1LMNAPKMHPGD
SCHEMBL615704 0.88 F11 (0.37) F11ALDH1A1LMNAPKMHPGD
SCHEMBL614366 0.85 F11 (0.31) F11
SCHEMBL2360491 0.84 CTSB (0.39) F11ALDH1A1LMNAPKMHPGD
SCHEMBL613880 0.83 F11 (0.34) F11DGAT1SUV39H2
SCHEMBL30480729 0.83 F11 (0.35) F11LMNAMAPTDGAT1SUV39H2
SCHEMBL616157 0.83 F11 (0.35) F11LMNAMAPTDGAT1SUV39H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2534152-B1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-02 EP disclosed
US-9745313-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-29 US disclosed
US-20160362414-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-12-15 US disclosed
US-9453029-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-27 US disclosed
US-20150266894-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-09-24 US disclosed
US-9079918-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-07-14 US disclosed
US-20140343276-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-11-20 US disclosed
US-8828983-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-09 US disclosed
EP-2534152-A1 MACROCYCLES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2012-12-19 EP disclosed
US-20120309960-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MEYERS SQUIBB COMPANY 2012-12-06 US disclosed
WO-2011100402-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-18 WO 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 (4 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-20140343276-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 F11 3/4885ALDH1A1 4598/4885LMNA 1757/4885
US-20150266894-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 F11 3/4885ALDH1A1 4598/4885LMNA 1757/4885
US-20160362414-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 F11 3/4885ALDH1A1 4598/4885LMNA 1757/4885
US-20120309960-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 F11 3/4885ALDH1A1 4598/4885LMNA 1757/4885

“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.