SCHEMBL616239

SCHEMBL616239

C=CCC(=O)Nc1cc(NC(=O)OC)ccc1-c1cc(C(CC=C)NC(=O)OC(C)(C)C)nc(C)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.36
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
F11 P03951 1/20 0.35
PTPRB P23467 2/20 0.33
HDAC3 O15379 5/20 0.33
HDAC1 Q13547 4/20 0.33
HDAC2 Q92769 4/20 0.33
HDAC10 Q969S8 4/20 0.33
MAPT P10636 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
NCOR2 Q9Y618 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
XBP1 P17861 1/20 0.33
MAPK1 P28482 1/20 0.33
HDAC8 Q9BY41 3/20 0.32
ACSS2 Q9NR19 1/20 0.32
CA12 O43570 2/20 0.31
CA1 P00915 2/20 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
SCHEMBL614962 0.80 F11 (0.34) NQO2MTNR1AMTNR1BF11MAPT
SCHEMBL29053447 0.80 F11 (0.34) NQO2MTNR1AMTNR1BF11MAPT
SCHEMBL18797068 0.80 NQO2 (0.36) NQO2MTNR1AMTNR1BF11HDAC3
SCHEMBL15914527 0.79 PTPRB (0.33) F11PTPRBHDAC3HDAC1HDAC2
SCHEMBL615850 0.76 F11 (0.36) F11HDAC3HDAC1HDAC2HDAC10
SCHEMBL615434 0.75 F11 (0.36) F11HDAC3HDAC1HDAC2HDAC10
SCHEMBL15594130 0.75 AAK1 (0.33) F11PTPRBMAPTLMNAGAA
SCHEMBL18797082 0.75 NQO2 (0.36) NQO2MTNR1AMTNR1BF11AAK1
SCHEMBL20417116 0.74 BCHE (0.32) F11PTPRBAAK1
SCHEMBL20417270 0.74 AAK1 (0.32) F11MAPTGAAAAK1

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 13 patents. 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
US-20180022753-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-01-25 US disclosed
US-9802939-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-31 US disclosed
US-20150112058-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-04-23 US disclosed
US-8940720-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-27 US disclosed
EP-2534154-A1 MACROCYCLES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2012-12-19 EP disclosed
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-02-16 US 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 (7 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 NQO2 2518/4885MTNR1A 4144/4885MTNR1B 3906/4885
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 NQO2 2518/4885MTNR1A 4144/4885MTNR1B 3906/4885
US-20200087312-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 NQO2 2518/4885MTNR1A 4144/4885MTNR1B 3906/4885
US-12404274-B2 Macrocycles as factor xia inhibitors TFPI, TFPI2, F11 NQO2 2518/4885MTNR1A 4144/4885MTNR1B 3906/4885
US-11136327-B2 Macrocycles as factor XIA inhibitors TFPI, TFPI2, F11 NQO2 2518/4885MTNR1A 4144/4885MTNR1B 3906/4885
US-20180022753-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 NQO2 2518/4885MTNR1A 4144/4885MTNR1B 3906/4885
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 NQO2 2518/4885MTNR1A 4144/4885MTNR1B 3906/4885

“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.