SCHEMBL15771908

SCHEMBL15771908

C=CC[C@H](NC(=O)OC(C)(C)C)c1nc(-c2ccc(NC(=O)O)cc2Br)cn1COCC[Si](C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
XBP1 P17861 1/20 0.34
DGAT1 O75907 3/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
SUV39H2 Q9H5I1 2/20 0.31
AAK1 Q2M2I8 2/20 0.31
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
F11 P03951 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
SCHEMBL29053462 0.94 F11 (0.34) MAPK1LMNAGAAMAPTXBP1
SCHEMBL613659 0.94 F11 (0.34) MAPK1LMNAGAAMAPTXBP1
SCHEMBL14692541 0.91 DGAT1 (0.32) MAPK1LMNAGAAMAPTXBP1
SCHEMBL23037763 0.91 LMNA (0.32) MAPK1LMNAGAAMAPTXBP1
SCHEMBL614353 0.91 LMNA (0.32) MAPK1LMNAGAAMAPTXBP1
SCHEMBL614413 0.89 DGAT1 (0.32) MAPK1LMNAGAAMAPTXBP1
SCHEMBL15456728 0.89 DGAT1 (0.31) MAPK1LMNAGAAMAPTXBP1
SCHEMBL15456727 0.89 DGAT1 (0.31) MAPK1LMNAGAAMAPTXBP1
SCHEMBL22282510 0.88 LMNA (0.31) MAPK1LMNAGAAMAPTXBP1
SCHEMBL2300060 0.88 LMNA (0.31) MAPK1LMNAGAAMAPTXBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3070087-B1 INTERMEDIATES FOR THE SYNTHESIS OF CYCLIC P1 LINKERS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-04-10 EP disclosed
US-10208068-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-02-19 US disclosed
US-20180148461-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-31 US disclosed
US-9902742-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-02-27 US disclosed
US-20170158712-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-06-08 US disclosed
EP-2739628-B1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-06-07 EP disclosed
US-9611274-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-04-04 US disclosed
EP-3070087-A1 INTERMEDIATES FOR THE SYNTHESIS OF CYCLIC P1 LINKERS AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2016-09-21 EP disclosed
US-20160068544-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-03-10 US disclosed
EP-2739625-B1 CYCLIC P1 LINKERS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-01-20 EP disclosed
US-9221818-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-29 US disclosed
US-8901115-B2 Cyclic P1 linkers as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-02 US disclosed
US-20140221338-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-07 US disclosed
US-20140163002-A1 CYCLIC P1 LINKERS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-06-12 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 (6 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-20180148461-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F12 MAPK1 540/4885LMNA 1870/4885GAA 3308/4885
US-10208068-B2 Macrocycles as factor XIa inhibitors TFPI, TFPI2, F12 MAPK1 672/4885LMNA 1603/4885GAA 3142/4885
US-20160068544-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F12 MAPK1 540/4885LMNA 1870/4885GAA 3308/4885
US-20140221338-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F12 MAPK1 540/4885LMNA 1870/4885GAA 3308/4885
US-20170158712-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F12 MAPK1 540/4885LMNA 1870/4885GAA 3308/4885
US-20140163002-A1 CYCLIC P1 LINKERS AS FACTOR XIA INHIBITORS F11, F12, F13A1 MAPK1 309/4885LMNA 493/4885GAA 3721/4885

“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.