SCHEMBL615850

SCHEMBL615850

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 3/20 0.36
HDAC3 O15379 7/20 0.35
AAK1 Q2M2I8 7/20 0.35
HDAC1 Q13547 6/20 0.35
HDAC2 Q92769 6/20 0.35
HDAC10 Q969S8 5/20 0.35
HDAC6 Q9UBN7 3/20 0.35
NCOR2 Q9Y618 1/20 0.35
KLKB1 P03952 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
HDAC8 Q9BY41 5/20 0.34
HDAC4 P56524 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 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
SCHEMBL10265629 0.88 HDAC3 (0.37) HDAC3AAK1HDAC1HDAC2HDAC10
SCHEMBL15456654 0.88 AAK1 (0.36) F11AAK1KLKB1PRSS1PRSS2
SCHEMBL14691554 0.88 AAK1 (0.36) F11AAK1KLKB1PRSS1PRSS2
SCHEMBL29053451 0.86 SMN1; SMN2 (0.35) LMNAGAAMAPT
SCHEMBL613684 0.86 SMN1; SMN2 (0.35) LMNAGAAMAPT
SCHEMBL15914527 0.86 PTPRB (0.33) F11HDAC3AAK1HDAC1HDAC2
SCHEMBL616049 0.85 F11 (0.38) F11HDAC3AAK1HDAC1HDAC2
SCHEMBL28592176 0.85 F11 (0.38) F11HDAC3AAK1HDAC1HDAC2
SCHEMBL616815 0.85 AAK1 (0.34) F11AAK1KLKB1PRSS1PRSS2
SCHEMBL15915824 0.85 F11 (0.38) F11AAK1HDAC1KLKB1PRSS1

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 F11 3/4885HDAC3 990/4885AAK1 896/4885
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 F11 3/4885HDAC3 990/4885AAK1 896/4885
US-20200087312-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 F11 3/4885HDAC3 990/4885AAK1 896/4885
US-12404274-B2 Macrocycles as factor xia inhibitors TFPI, TFPI2, F11 F11 3/4885HDAC3 990/4885AAK1 896/4885
US-11136327-B2 Macrocycles as factor XIA inhibitors TFPI, TFPI2, F11 F11 3/4885HDAC3 990/4885AAK1 896/4885
US-20180022753-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 F11 3/4885HDAC3 990/4885AAK1 896/4885
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 F11 3/4885HDAC3 990/4885AAK1 896/4885

“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.