SCHEMBL617014

SCHEMBL617014

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.52
PPARG P37231 7/20 0.40
PPARA Q07869 7/20 0.40
PPARD Q03181 2/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SRD5A2 P31213 1/20 0.40
KMT2A Q03164 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NR1H4 Q96RI1 2/20 0.38
EPHX2 P34913 1/20 0.38
GABRB1 P18505 1/20 0.37
GABRB2 P47870 1/20 0.37

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
SCHEMBL7158402 0.88 PPARG (0.47) PPARGPPARAPPARDTSHRKMT2A
SCHEMBL15149335 0.87 MIF (0.48) MAPTPPARGPPARAPPARDTSHR
SCHEMBL32687527 0.85 RAB9A (0.49) MAPTNFKB1NFKB2RELAKMT2A
SCHEMBL7422422 0.85 NFKB1 (0.39) MAPTPPARGPPARAPPARDNFKB1
SCHEMBL7438712 0.85 ADRB2 (0.40) MAPTPPARGPPARAPPARDNFKB1
SCHEMBL616504 0.85 CA1 (0.46) MAPTTSHRNFKB1NFKB2RELA
Hydrochloric Acid SCHEMBL6244078 0.84 CTSS (0.41) MAPTPPARGPPARAPPARDTSHR
SCHEMBL7305490 0.83 NR1H4 (0.45) PPARGPPARAPPARDSRD5A2CA2
SCHEMBL4749029 0.83 MAPT (0.55) MAPTTP53TSHRNFKB1NFKB2
SCHEMBL5846805 0.83 ALDH1A1 (0.47) MAPTPPARGPPARAPPARDNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2023-02-23 US disclosed
US-20210371379-A1 NOVEL SALT OF 4-({(4S)-1-(4-CARBAMIMIDOYLBENZOYL)-4-[4(METHYLSULFONYL)PIPERAZIN-1-YL]-L-PROLYL}AMINO) BENZOIC ACID AND NOVEL CRYSTAL FORM THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2021-12-02 US disclosed
US-11136327-B2 Macrocycles as factor XIA inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-10-05 US disclosed
US-11136327-B2 Macrocycles as factor XIA inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-10-05 US disclosed
EP-3854783-A1 NOVEL SALT OF 4-(\\{(4S)-1-(4-CARBAMIMIDOYLBENZOYL)-4-[4-(METHYLSULFONYL)PIPERAZIN-1-YL]-L-PROLYL\\}AMINO)BENZOIC ACID, AND AND NOVEL CRYSTAL FORM OF SAID SALT ONO Pharmaceutical Co., Ltd. (JP) 2021-07-28 EP 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
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-5726185-A BINDING OF ADHESIVE PROTEINS TO BLOOD PLATELET AGGREGATION AND CELL TO CELL ADHESION HOFFMANN-LA ROCHE INC. (US) 1998-03-10 US disclosed
US-5707994-A USEFUL AS A PLATELET AGGREGATION INHIBITOR, CANCER METASTASIS INHIBITOR, WOUND HEALING AGENT OR A BONE RESORPTION INHIBITOR SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1998-01-13 US disclosed
EP-0805149-A1 NOVEL 2,3-DIKETOPIPERAZINE DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 1997-11-05 EP disclosed
US-5614531-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-03-25 US disclosed
CN-1138322-A 2,3-diaminopropionic acid derivative SUMITOMO PHARMA (JP) 1996-12-18 CN disclosed
US-5561112-A ADMINISTERING SMALL SYNTHETIC PEPTIDES(SIMILAR TO GLYCINE-ASPARTIC ACID) TO SUPPRESS THROMBOSIS SANDOZ LTD. (CH) 1996-10-01 US disclosed
EP-0560730-B1 New derivatives of beta-amino acids with anti-thrombotic activity SANDOZ LTD (CH) 1996-09-11 EP disclosed
EP-0725059-A1 2,3-DIAMINOPROPIONIC ACID DERIVATIVE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-08-07 EP disclosed
EP-0668278-A1 Adhesion receptor antagonists MERCK PATENT GmbH (DE) 1995-08-23 EP disclosed
EP-0560730-A2 New derivatives of beta-amino acids with anti-thrombotic activity SANDOZ LTD. (CH) 1993-09-15 EP 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 (5 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-20210371379-A1 NOVEL SALT OF 4-({(4S)-1-(4-CARBAMIMIDOYLBENZOYL)-4-[4(METHYLSULFONYL)PIPERAZIN-1-YL]-L-PROLYL}AMINO) BENZOIC ACID AND NOVEL CRYSTAL FORM THEREOF CLIC4, SBDS, SLC7A1 MAPT 627/4885PPARG 2976/4885PPARA 1727/4885
US-10882855-B2 Substituted pyrrolidines as factor XIa inhibitors for the treatment thromboembolic diseases F11, F9, F10 MAPT 4808/4885PPARG 3194/4885PPARA 4262/4885
US-11136327-B2 Macrocycles as factor XIA inhibitors TFPI, TFPI2, F11 MAPT 326/4885PPARG 4858/4885PPARA 4860/4885
US-20210147403-A1 SUBSTITUTED PYRROLIDINES AS FACTOR XIA INHIBITORS FOR THE TREATMENT THROMBOEMBOLIC DISEASES F11, F10, F9 MAPT 4819/4885PPARG 3459/4885PPARA 4412/4885
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 MAPT 326/4885PPARG 4858/4885PPARA 4860/4885

“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.