SCHEMBL616658

SCHEMBL616658

C=CCC(Nc1cc(NC(=O)OC)ccc1-c1ccnc([C@H](CC=C)NC(=O)OC(C)(C)C)c1)C(=O)OCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.34
AAK1 Q2M2I8 7/20 0.34
F11 P03951 3/20 0.33
KLKB1 P03952 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
SREBF2 Q12772 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.32
PSEN1 P49768 1/20 0.32

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
SCHEMBL614166 0.94 SMN1; SMN2 (0.34) SMN1; SMN2ALDH1A1MAPTAAK1F11
SCHEMBL616965 0.88 AAK1 (0.33) AAK1F11KLKB1PRSS1PRSS2
SCHEMBL616815 0.88 AAK1 (0.34) AAK1F11KLKB1PRSS1PRSS2
SCHEMBL15933272 0.84 F11 (0.35) SMN1; SMN2ALDH1A1MAPTAAK1F11
SCHEMBL14691554 0.84 AAK1 (0.36) AAK1F11KLKB1PRSS1PRSS2
SCHEMBL615850 0.84 F11 (0.36) MAPTAAK1F11KLKB1PRSS1
SCHEMBL15456654 0.84 AAK1 (0.36) AAK1F11KLKB1PRSS1PRSS2
SCHEMBL616049 0.83 F11 (0.38) AAK1F11KLKB1PRSS1PRSS2
SCHEMBL28592176 0.83 F11 (0.38) AAK1F11KLKB1PRSS1PRSS2
SCHEMBL615586 0.83 AAK1 (0.34) SMN1; SMN2ALDH1A1MAPTAAK1F11

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
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-20180022753-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-01-25 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
US-20160068544-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-03-10 US disclosed
US-9221818-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-29 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
US-20140221338-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-07 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 (11 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 SMN1; SMN2 3689/4885ALDH1A1 4598/4885MAPT 326/4885
US-20180148461-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F12 SMN1; SMN2 3794/4885ALDH1A1 4457/4885MAPT 496/4885
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 SMN1; SMN2 3689/4885ALDH1A1 4598/4885MAPT 326/4885
US-20200087312-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 SMN1; SMN2 3689/4885ALDH1A1 4598/4885MAPT 326/4885
US-10208068-B2 Macrocycles as factor XIa inhibitors TFPI, TFPI2, F12 SMN1; SMN2 3688/4885ALDH1A1 4479/4885MAPT 360/4885
US-12404274-B2 Macrocycles as factor xia inhibitors TFPI, TFPI2, F11 SMN1; SMN2 3689/4885ALDH1A1 4598/4885MAPT 326/4885
US-20160068544-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F12 SMN1; SMN2 3794/4885ALDH1A1 4457/4885MAPT 496/4885
US-11136327-B2 Macrocycles as factor XIA inhibitors TFPI, TFPI2, F11 SMN1; SMN2 3689/4885ALDH1A1 4598/4885MAPT 326/4885
US-20140221338-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F12 SMN1; SMN2 3794/4885ALDH1A1 4457/4885MAPT 496/4885
US-20180022753-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 SMN1; SMN2 3689/4885ALDH1A1 4598/4885MAPT 326/4885
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 SMN1; SMN2 3689/4885ALDH1A1 4598/4885MAPT 326/4885

“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.