SCHEMBL616504

SCHEMBL616504

COC(=O)c1ccc(C(=N)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA12 O43570 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
TSHR P16473 1/20 0.43
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
NOTUM Q6P988 2/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL617014 0.85 MAPT (0.52) CA1CA2TSHRMAPTALDH1A1
SCHEMBL15149335 0.85 MIF (0.48) CA1CA2CA12CA7CA9
SCHEMBL7422422 0.84 NFKB1 (0.39) CA1CA2MAPTNFKB1NFKB2
SCHEMBL7438712 0.84 ADRB2 (0.40) TDP1MAPTMEN1KMT2ANFKB1
SCHEMBL32687527 0.84 RAB9A (0.49) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL27449503 0.83 MAPT (0.53) CA1CA2TDP1CA12CA7
SCHEMBL7158402 0.83 PPARG (0.47) CA1TDP1CA12CA7CA14
Hydrochloric Acid SCHEMBL6244078 0.83 CTSS (0.41) TSHRMAPTMEN1KMT2ARAB9A
SCHEMBL5846805 0.81 ALDH1A1 (0.47) MAPTALDH1A1RAB9ANFKB1NFKB2
SCHEMBL7986256 0.81 NFKB1 (0.36) MAPTRAB9ANFKB1NFKB2RELA

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 26 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
US-20210147403-A1 SUBSTITUTED PYRROLIDINES AS FACTOR XIA INHIBITORS FOR THE TREATMENT THROMBOEMBOLIC DISEASES ONO PHARMACEUTICAL CO., LTD. (JP) 2021-05-20 US disclosed
EP-3786165-A1 SYNTHETIC INTERMEDIATES FOR PRODUCING MACROCYCLES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2021-03-03 EP disclosed
US-10882855-B2 Substituted pyrrolidines as factor XIa inhibitors for the treatment thromboembolic diseases ONO PHARMACEUTICAL CO., LTD. (JP) 2021-01-05 US 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-20190263795-A1 SUBSTITUTED PYRROLIDINES AS FACTOR XIA INHIBITORS FOR THE TREATMENT THROMBOEMBOLIC DISEASES ONO PHARMACEUTICAL CO., LTD. (JP) 2019-08-29 US disclosed
US-10336741-B2 Substituted pyrrolidines as factor XIa inhibitors for the treatment thromboembolic diseases ONO PHARMACEUTICAL CO., LTD. (JP) 2019-07-02 US disclosed
US-20160287582-A1 SUBSTITUTED PYRROLIDINES AS FACTOR XIA INHIBITORS FOR THE TREATMENT THROMBOEMBOLIC DISEASES ONO PHARMACEUTICAL CO., LTD. (JP) 2016-10-06 US disclosed
EP-3056493-A1 SUBSTITUTED PYRROLIDINES AS FACTOR XIA INHIBITORS FOR THE TREATMENT OF THROMBOEMBOLIC DISEASES ONO PHARMACEUTICAL CO., LTD. (JP) 2016-08-17 EP disclosed
US-9394250-B2 Substituted pyrrolidines as factor xia inhibitors for the treatment thromboembolic diseases ONO PHARMACEUTICAL CO., LTD. (JP) 2016-07-19 US disclosed
US-20150152048-A1 SUBSTITUTED PYRROLIDINES AS FACTOR XIA INHIBITORS FOR THE TREATMENT THROMBOEMBOLIC DISEASES ONO PHARMACEUTICAL CO., LTD. (JP) 2015-06-04 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
US-5039805-A Novel benzoic and phenylacetic acid derivatives HOFFMANN-LA ROCHE INC. (US) 1991-08-13 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 (12 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 CA1 1574/4885CA2 1172/4885TDP1 2393/4885
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 CA1 1574/4885CA2 1172/4885TDP1 2393/4885
US-20200087312-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 CA1 1574/4885CA2 1172/4885TDP1 2393/4885
US-20190263795-A1 SUBSTITUTED PYRROLIDINES AS FACTOR XIA INHIBITORS FOR THE TREATMENT THROMBOEMBOLIC DISEASES F11, F9, F10 CA1 3069/4885CA2 2871/4885TDP1 1660/4885
US-12404274-B2 Macrocycles as factor xia inhibitors TFPI, TFPI2, F11 CA1 1574/4885CA2 1172/4885TDP1 2393/4885
US-10882855-B2 Substituted pyrrolidines as factor XIa inhibitors for the treatment thromboembolic diseases F11, F9, F10 CA1 3069/4885CA2 2871/4885TDP1 1660/4885
US-20160287582-A1 SUBSTITUTED PYRROLIDINES AS FACTOR XIA INHIBITORS FOR THE TREATMENT THROMBOEMBOLIC DISEASES F11, F9, F10 CA1 3069/4885CA2 2871/4885TDP1 1660/4885
US-20150152048-A1 SUBSTITUTED PYRROLIDINES AS FACTOR XIA INHIBITORS FOR THE TREATMENT THROMBOEMBOLIC DISEASES F11, F9, F10 CA1 3069/4885CA2 2871/4885TDP1 1660/4885
US-11136327-B2 Macrocycles as factor XIA inhibitors TFPI, TFPI2, F11 CA1 1574/4885CA2 1172/4885TDP1 2393/4885
US-10336741-B2 Substituted pyrrolidines as factor XIa inhibitors for the treatment thromboembolic diseases F11, F9, F10 CA1 3069/4885CA2 2871/4885TDP1 1660/4885
US-20210147403-A1 SUBSTITUTED PYRROLIDINES AS FACTOR XIA INHIBITORS FOR THE TREATMENT THROMBOEMBOLIC DISEASES F11, F10, F9 CA1 3225/4885CA2 3200/4885TDP1 1808/4885
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 CA1 1574/4885CA2 1172/4885TDP1 2393/4885

“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.