SCHEMBL924112

SCHEMBL924112

C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.53
PPARG P37231 1/20 0.53
CTSK P43235 3/20 0.52
TACR1 P25103 2/20 0.52
CTRB1 P17538 2/20 0.51
CTSL P07711 3/20 0.51
CTSB P07858 2/20 0.51
CTSS P25774 1/20 0.51
IDO1 P14902 1/20 0.51
TDO2 P48775 1/20 0.51
ITGB3 P05106 2/20 0.50
ITGA2B P08514 2/20 0.50
CASP1 P29466 1/20 0.50

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
SCHEMBL924114 1.00 PPARA (0.53) PPARAPPARGCTSKTACR1CTRB1
SCHEMBL1162401 1.00 PPARA (0.53) PPARAPPARGCTSKTACR1CTRB1
SCHEMBL10535416 0.89 KYNU (0.59) CTSKTACR1CTSLCTSBCTSS
SCHEMBL12873774 0.89 CTSL (0.54) CTSKTACR1CTRB1CTSLCTSB
SCHEMBL14405782 0.89 ALDH1A1 (0.57) CTSKTACR1CTSLCTSBCTSS
SCHEMBL19576660 0.89 CTSK (0.50) CTSKTACR1CTRB1CTSLCTSB
SCHEMBL2519860 0.89 KYNU (0.59) CTSKTACR1CTSLCTSBCTSS
SCHEMBL4425694 0.87 PPARA (0.54) PPARAPPARGCTSKTACR1CTRB1
SCHEMBL28677738 0.87 CTRB1 (0.52) CTSKTACR1CTRB1CTSLCTSB
SCHEMBL8299708 0.87 PPARA (0.54) PPARAPPARGCTSKTACR1CTRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240246988-A1 BRUTON'S TYROSINE KINASE INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2024-07-25 US disclosed
CN-112300172-B Bruton tyrosine kinase inhibitors 比奥根MA公司 2024-01-16 CN disclosed
US-20230046457-A1 BRUTON'S TYROSINE KINASE INHIBITORS BIOGEN MA INC. 2023-02-16 US disclosed
US-20230046457-A1 BRUTON'S TYROSINE KINASE INHIBITORS BIOGEN MA INC. 2023-02-16 US disclosed
US-20200399283-A1 BRUTON'S TYROSINE KINASE INHIBITORS VIRACTA THERAPEUTICS, INC. 2020-12-24 US disclosed
US-20200399283-A1 BRUTON'S TYROSINE KINASE INHIBITORS VIRACTA THERAPEUTICS, INC. 2020-12-24 US disclosed
US-10577374-B2 Bruton's tyrosine kinase inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2020-03-03 US disclosed
US-10577374-B2 Bruton's tyrosine kinase inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2020-03-03 US disclosed
EP-3461824-A1 BRUTON'S TYROSINE KINASE INHIBITORS Biogen MA Inc. (US) 2019-04-03 EP disclosed
EP-3461824-A1 BRUTON'S TYROSINE KINASE INHIBITORS Biogen MA Inc. (US) 2019-04-03 EP disclosed
WO-2005072308-A2 CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2005-08-11 WO disclosed
US-20040229861-A1 CGRP receptor antagonists MERCK SHARP & DOHME LLC 2004-11-18 US disclosed
WO-2004091514-A2 CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2004-10-28 WO disclosed
WO-2004092166-A2 CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2004-10-28 WO disclosed
WO-2004092168-A1 CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2004-10-28 WO disclosed
EP-0629627-B1 Bicyclic carboxylic acids and their derivatives as nep and aca inhibitors BRISTOL MYERS SQUIBB CO (US) 2004-05-06 EP disclosed
US-5627278-A MULTISTAGE REACTION FORMED BY AMIDATION, COUPLING AND REDUCTION BRISTOL-MYERS SQUIBB CO. (US) 1997-05-06 US disclosed
US-5616775-A ESTERIFYING A N-PROTECTED METHIONINE; OXIDIZING; REACTING WITH AN ACID ANHYDRIDE THEN AN ALKALI METAL HYDROXIDE BRISTOL-MYERS SQUIBB CO. (US) 1997-04-01 US disclosed
US-5508272-A SELECTIVE ACE INHIBITORS, HYPOTENSIVE AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1996-04-16 US disclosed
EP-0629627-A2 Bicyclic carboxylic acids and their derivatives as nep and aca inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1994-12-21 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-20240246988-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK PPARA 4869/4885PPARG 4861/4885CTSK 1545/4885
US-20230046457-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK PPARA 4869/4885PPARG 4861/4885CTSK 1545/4885
US-20040229861-A1 CGRP receptor antagonists CCKBR, CCKAR, CALCRL PPARA 4393/4885PPARG 2880/4885CTSK 970/4885
US-20200399283-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK PPARA 4869/4885PPARG 4861/4885CTSK 1545/4885
US-10577374-B2 Bruton's tyrosine kinase inhibitors BTK, ABL1, SYK PPARA 4869/4885PPARG 4861/4885CTSK 1545/4885

“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.