SCHEMBL615434

SCHEMBL615434

C=CCCC(=O)Nc1cc(NC(=O)OC)ccc1-c1cc(C(CC=C)NC(=O)OC(C)(C)C)c(Cl)nn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 4/20 0.36
HDAC3 O15379 6/20 0.34
HDAC1 Q13547 4/20 0.34
HDAC2 Q92769 4/20 0.34
HDAC10 Q969S8 3/20 0.34
NCOR2 Q9Y618 2/20 0.34
HDAC6 Q9UBN7 1/20 0.34
F2 P00734 1/20 0.33
F9 P00740 1/20 0.33
F10 P00742 1/20 0.33
PLG P00747 1/20 0.33
PLAU P00749 1/20 0.33
PLAT P00750 1/20 0.33
KLKB1 P03952 1/20 0.33
PROC P04070 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
F7 P08709 1/20 0.33
PRSS3 P35030 1/20 0.33
MAPT P10636 4/20 0.33

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
SCHEMBL30194123 0.89 AAK1 (0.34) HDAC3HDAC1HDAC2HDAC10NCOR2
SCHEMBL16408844 0.87 F11 (0.37) F11HDAC3HDAC1HDAC2HDAC10
SCHEMBL30194162 0.87 KMT2A (0.35) MAPTGAAMEN1ALDH1A1KMT2A
SCHEMBL2234203 0.80 HDAC3 (0.31) F11HDAC3HDAC1HDAC2HDAC10
SCHEMBL615850 0.80 F11 (0.36) F11HDAC3HDAC1HDAC2HDAC10
SCHEMBL15915335 0.78 F11 (0.35) F11F2F9F10PLG
SCHEMBL615382 0.77 MEN1 (0.34) MAPTLMNAMEN1ALDH1A1HPGD
SCHEMBL616239 0.75 NQO2 (0.36) F11HDAC3HDAC1HDAC2HDAC10
SCHEMBL15456389 0.75 F11 (0.34) F11F10PLGPLATMAPT
SCHEMBL14706093 0.74 MAPT (0.39) MAPTLMNAXBP1MEN1ALDH1A1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12404274-B2 Macrocycles as factor xia inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2025-09-02 US disclosed
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2023-02-23 US disclosed
US-11136327-B2 Macrocycles as factor XIA inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-10-05 US disclosed
EP-3786165-A1 SYNTHETIC INTERMEDIATES FOR PRODUCING MACROCYCLES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2021-03-03 EP disclosed
EP-2534154-B1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-08-05 EP disclosed
US-20200087312-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB (US) 2020-03-19 US disclosed
EP-2534152-B1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-02 EP disclosed
US-20180022753-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-01-25 US 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-9079918-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-07-14 US disclosed
US-20150112058-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-04-23 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
EP-2534154-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
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-02-16 US disclosed
WO-2011100402-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-18 WO disclosed
WO-2011100401-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 (10 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-20150112058-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 F11 3/4885HDAC3 990/4885HDAC1 815/4885
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 F11 3/4885HDAC3 990/4885HDAC1 815/4885
US-20200087312-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 F11 3/4885HDAC3 990/4885HDAC1 815/4885
US-20140343276-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 F11 3/4885HDAC3 990/4885HDAC1 815/4885
US-12404274-B2 Macrocycles as factor xia inhibitors TFPI, TFPI2, F11 F11 3/4885HDAC3 990/4885HDAC1 815/4885
US-20160362414-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 F11 3/4885HDAC3 990/4885HDAC1 815/4885
US-11136327-B2 Macrocycles as factor XIA inhibitors TFPI, TFPI2, F11 F11 3/4885HDAC3 990/4885HDAC1 815/4885
US-20180022753-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 F11 3/4885HDAC3 990/4885HDAC1 815/4885
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 F11 3/4885HDAC3 990/4885HDAC1 815/4885
US-20120309960-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 F11 3/4885HDAC3 990/4885HDAC1 815/4885

“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.