SCHEMBL1106087

SCHEMBL1106087

CC(C)c1sccc1C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.34
ALOX5 P09917 2/20 0.30
CA1 P00915 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL21259403 0.83 CA2 (0.32) CA2
SCHEMBL15979644 0.80 ALDH1A1 (0.32)
SCHEMBL20363302 0.75
SCHEMBL24184140 0.74
SCHEMBL19066706 0.71 CA2 (0.37) CA2ALOX5CA1PTGS1PTGS2
SCHEMBL1106127 0.69 CA2 (0.39) CA2ALOX5CA1PTGS1PTGS2
SCHEMBL4546377 0.69 GABRA1 (0.33) CA2ALOX5CA1PTGS1
SCHEMBL827163 0.69
SCHEMBL10119790 0.69 CA2 (0.39) CA2ALOX5CA1PTGS1PTGS2
SCHEMBL15801274 0.67 LMNA (0.51) ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025924-A1 HETEROCYCLE SUBSTITUTED KETONE DERIVATIVE, AND COMPOSITION AND MEDICINAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2024-01-25 US disclosed
US-20230355593-A1 N-methyl-D-aspartic Acid Receptor Modulators UNIV EMORY (US) 2023-11-09 US disclosed
US-11738008-B2 N-methyl-D-aspartic acid receptor modulators EMORY UNIVERSITY (US) 2023-08-29 US disclosed
US-20230142839-A1 N4-phenyl-quinazoline-4 -amine derivatives and related compounds as ErbB type I receptor tyrosine kinase inhibitors for the treatment of hyperproliferative diseases ARRAY BIOPHARMA INC. (US) 2023-05-11 US disclosed
US-20230142839-A1 N4-phenyl-quinazoline-4 -amine derivatives and related compounds as ErbB type I receptor tyrosine kinase inhibitors for the treatment of hyperproliferative diseases ARRAY BIOPHARMA INC. (US) 2023-05-11 US disclosed
US-20220265712-A1 POPULATIONS OF NATURAL KILLER CELLS FOR TREATING CANCERS CELULARITY INC. (US) 2022-08-25 US disclosed
US-20210361631-A1 N-methyl-D-aspartic Acid Receptor Modulators UNIV EMORY (US) 2021-11-25 US disclosed
US-20210145812-A1 AMINOAMIDE COMPOUNDS BIOTHERYX, INC. (US) 2021-05-20 US disclosed
US-20200140438-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ALLOSTERIC MODULATORS OF GROUP II METABOTROPIC GLUTAMATE RECEPTORS DOMAIN THERAPEUTICS (FR) 2020-05-07 US disclosed
US-10370342-B2 Toll like receptor modulator compounds GILEAD SCIENCES, INC. (US) 2019-08-06 US disclosed
US-20150119426-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES 2015-04-30 US disclosed
US-20140023643-A1 N4-PHENYL-QUINAZOLINE-4-AMINE DERIVATIVES AND RELATED COMPOUNDS AS ERBB TYPE I RECEPTOR TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES ARRAY BIOPHARMA, INC. (US) 2014-01-23 US disclosed
US-8273772-B2 Heteroaryl compounds as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-25 US disclosed
US-20120157403-A1 BICYCLIC AND TRICYCLIC DERIVATIVES AS THROMBIN RECEPTOR ANTAGONISTS CHACKALAMANNIL SAMUEL (US) 2012-06-21 US disclosed
US-8153664-B2 thrombosis, atherosclerosis, restenosis, hypertension, angina pectoris, arrhythmia, heart failures and cancer SCHERING CORPORATION (US) 2012-04-10 US disclosed
US-20100093689-A1 HETEROARYL COMPOUNDS AS P2Y1 RECEPTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-04-15 US disclosed
US-7674828-B2 Urea antagonists of P2Y1receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-09 US disclosed
US-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB COMPANY (US) 2008-11-13 US disclosed
US-7388021-B2 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL MYERS SQUIBB COMPANY (US) 2008-06-17 US disclosed
US-20080090830-A1 Bicyclic And Tricyclic Derivatives As Thrombin Receptor Antagonists SCHERING CORPORATION 2008-04-17 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 (15 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-20080090830-A1 Bicyclic And Tricyclic Derivatives As Thrombin Receptor Antagonists EDNRB, TBXA2R, BDKRB1 CA2 2673/4885ALOX5 659/4885CA1 3953/4885
US-20240025924-A1 HETEROCYCLE SUBSTITUTED KETONE DERIVATIVE, AND COMPOSITION AND MEDICINAL USE THEREOF BCKDK, CYP11B2, HSD17B7 CA2 2818/4885ALOX5 1902/4885CA1 2073/4885
US-20100093689-A1 HETEROARYL COMPOUNDS AS P2Y1 RECEPTOR INHIBITORS P2RY1, P2RY11, P2RY2 CA2 3270/4885ALOX5 591/4885CA1 4847/4885
US-20200140438-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ALLOSTERIC MODULATORS OF GROUP II METABOTROPIC GLUTAMATE RECEPTORS GRM3, GRM1, GRM2 CA2 1629/4885ALOX5 2787/4885CA1 1879/4885
US-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS P2RY1, P2RY11, P2RY2 CA2 4142/4885ALOX5 1006/4885CA1 4750/4885
US-20140023643-A1 N4-PHENYL-QUINAZOLINE-4-AMINE DERIVATIVES AND RELATED COMPOUNDS AS ERBB TYPE I RECEPTOR TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES ERBB4, ERBB2, ERBB3 CA2 4680/4885ALOX5 4690/4885CA1 4885/4885
US-20150119426-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 RXFP1, RXFP2, RXFP3 CA2 2494/4885ALOX5 2032/4885CA1 3558/4885
US-10370342-B2 Toll like receptor modulator compounds TLR8, TLR3, TLR6 CA2 3419/4885ALOX5 1375/4885CA1 4827/4885
US-20230142839-A1 N4-phenyl-quinazoline-4 -amine derivatives and related compounds as ErbB type I receptor tyrosine kinase inhibitors for the treatment of hyperproliferative diseases ERBB4, ERBB2, ERBB3 CA2 4680/4885ALOX5 4690/4885CA1 4885/4885
US-20210361631-A1 N-methyl-D-aspartic Acid Receptor Modulators GRIN1, GRIN2A, GRM1 CA2 4090/4885ALOX5 1808/4885CA1 2228/4885
US-20230355593-A1 N-methyl-D-aspartic Acid Receptor Modulators GRIN1, GRIN2A, GRM1 CA2 4173/4885ALOX5 1724/4885CA1 2368/4885
US-20120157403-A1 BICYCLIC AND TRICYCLIC DERIVATIVES AS THROMBIN RECEPTOR ANTAGONISTS EDNRB, TBXA2R, BDKRB1 CA2 2588/4885ALOX5 749/4885CA1 3936/4885
US-11738008-B2 N-methyl-D-aspartic acid receptor modulators GRIN1, GRIN2A, GRM1 CA2 4090/4885ALOX5 1808/4885CA1 2228/4885
US-20220265712-A1 POPULATIONS OF NATURAL KILLER CELLS FOR TREATING CANCERS PBK, KLKB1, LY6K CA2 1653/4885ALOX5 1818/4885CA1 1136/4885
US-20210145812-A1 AMINOAMIDE COMPOUNDS DNPEP, BCAT2, AADAT CA2 2391/4885ALOX5 2711/4885CA1 1892/4885

“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.