SCHEMBL2580643

SCHEMBL2580643

COC[CH]c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP2A6 P11509 1/20 0.42
TRPA1 O75762 2/20 0.41
IDO1 P14902 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RELA Q04206 1/20 0.38
NFE2L2 Q16236 1/20 0.38
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36

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
SCHEMBL5750248 0.87 TP53 (0.38) AKT1ALDH1A1TRPA1IDO1CYP1A2
SCHEMBL18237170 0.81 MEN1 (0.42) AKT1ALDH1A1CYP2A6TRPA1IDO1
SCHEMBL10812999 0.78 CYP2A6 (0.48) ALDH1A1CYP2A6RELANFE2L2TUBB4A
SCHEMBL4769781 0.76 MEN1 (0.46) ALDH1A1CYP2A6TRPA1MEN1KMT2A
SCHEMBL6496689 0.76 HSD17B10 (0.46) ALDH1A1CYP2A6TRPA1NFE2L2CYP1A2
SCHEMBL28597595 0.76 ALDH1A1 (0.44) ALDH1A1CYP2A6TRPA1IDO1MEN1
SCHEMBL58240 0.76 IDO1 (0.63) AKT1TRPA1IDO1MEN1KMT2A
SCHEMBL8988570 0.76 ALDH5A1 (0.46) ALDH1A1TRPA1MEN1KMT2ARELA
SCHEMBL1230594 0.76 RELA (0.44) ALDH1A1CYP2A6TRPA1IDO1MEN1
SCHEMBL792985 0.76 IDO1 (0.63) AKT1TRPA1IDO1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3007689-A1 NON-SELECTIVE KINASE INHIBITORS Zisman, Lawrence, S. (US) 2016-04-20 EP claimed
EP-2988738-A2 THERAPEUTIC INDICATIONS OF KINASE INHIBITORS Zisman, Lawrence, S. (US) 2016-03-02 EP claimed
WO-2014110198-A2 THERAPEUTIC INDICATIONS OF KINASE INHIBITORS ZISMAN LAWRENCE S (US) 2014-07-17 WO claimed
WO-2014110200-A1 NON-SELECTIVE KINASE INHIBITORS ZISMAN LAWRENCE S (US) 2014-07-17 WO claimed
EP-2044063-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Astra Zeneca AB (SE) 2009-04-08 EP claimed
WO-2008001070-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-01-03 WO claimed
US-5426106-A Treatment of neurodegenerative diseases, schizophrenia, convulsions; selective non-competitive antagonists MERCK SHARP & DOHME LIMITED (GB) 1995-06-20 US claimed
US-5420155-A Treatment of nervous system disorders with derivatives of 4-hydroxy-2-(1H)-pyrrolones such as strokes, antiischemic agents or cardiovascular disorders MERCK SHARP & DOHME LTD. (GB) 1995-05-30 US claimed
JP-59044345-A None JP disclosed
US-11999717-B2 Triazole carbamate pyridyl sulfonamides as LPA receptor antagonists and uses thereof GILEAD SCIENCES, INC. (US) 2024-06-04 US disclosed
CN-111743901-B Spray-dried formulations 普尔莫凯恩股份有限公司 2023-09-12 CN disclosed
EP-3054937-B1 SPRAY DRY FORMULATIONS PULMOKINE INC (US) 2023-07-26 EP disclosed
US-20230212149-A1 TRIAZOLE CARBAMATE PYRIDYL SULFONAMIDES AS LPA RECEPTOR ANTAGONISTS AND USES THEREOF GILEAD SCIENCES, INC. 2023-07-06 US disclosed
US-20230167104-A1 NEW IMIDAZOLONE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES IN PARTICULAR DYRK1A, CLK1 AND/OR CLK4 PERHA PHARMACEUTICALS (FR) 2023-06-01 US disclosed
WO-1993011115-A2 QUINOLONE DERIVATIVES AND THEIR USE AS NMDA AND AMPA RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 1993-06-10 WO disclosed
EP-0481676-A1 Hydroxyquinolone derivatives MERCK SHARP & DOHME LTD. (GB) 1992-04-22 EP disclosed
EP-0295839-A2 Pyrimidine derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-12-21 EP disclosed
JP-S5944345-A PREPARATION OPTICAL ACTIVE BETA-AMINO ACID AND ITS INTERMEDIATE TOYO JOZO CO LTD 1984-03-12 JP disclosed
EP-0039312-A1 Colour photopgraphic material for the silver-dye bleaching process, process for the production of this material and its use in the production of photographic images CIBA-GEIGY AG (CH) 1981-11-04 EP disclosed
US-4001284-A PRIMARY AMINES, 2,4-DIPHENOXY-5-SULFAMOYLBENZOIC ACID HOECHST AKTIENGESELLSCHAFT (DT) 1977-01-04 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 (3 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-11999717-B2 Triazole carbamate pyridyl sulfonamides as LPA receptor antagonists and uses thereof LPAR3, LPAR1, LPAR2 AKT1 1512/4885ALDH1A1 2326/4885CYP2A6 2471/4885
US-20230212149-A1 TRIAZOLE CARBAMATE PYRIDYL SULFONAMIDES AS LPA RECEPTOR ANTAGONISTS AND USES THEREOF LPAR3, LPAR1, LPAR2 AKT1 1512/4885ALDH1A1 2326/4885CYP2A6 2471/4885
US-20230167104-A1 NEW IMIDAZOLONE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES IN PARTICULAR DYRK1A, CLK1 AND/OR CLK4 CLK1, CLK2, CLK3 AKT1 624/4885ALDH1A1 2647/4885CYP2A6 4313/4885

“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.