SCHEMBL987784

SCHEMBL987784

Cc1cc(C(=O)O)c2[nH]ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.56
IKBKB O14920 7/20 0.46
CHUK O15111 6/20 0.46
CSNK2A1 P68400 1/20 0.43
PDPK1 O15530 1/20 0.42
KDM4E B2RXH2 2/20 0.42
MYC P01106 1/20 0.41
AURKA O14965 1/20 0.41
TPX2 Q9ULW0 1/20 0.41
XDH P47989 1/20 0.41
SLC22A12 Q96S37 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
ENPP2 Q13822 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PTPRC P08575 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 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
SCHEMBL28335692 0.84 IKBKB (0.60) KEAP1IKBKBCHUKPDPK1DHODH
SCHEMBL9116324 0.82 KDM4E (0.64) KEAP1IKBKBCHUKCSNK2A1PDPK1
SCHEMBL988102 0.81 NR4A2 (0.44) KEAP1IKBKBCHUKPDPK1XDH
SCHEMBL29696573 0.80 KEAP1 (0.58) KEAP1IKBKBCHUKPDPK1KDM4E
SCHEMBL5187370 0.80 KEAP1 (0.58) KEAP1IKBKBCHUKPDPK1KDM4E
SCHEMBL17802186 0.80 KEAP1 (0.58) KEAP1IKBKBCHUKPDPK1KDM4E
SCHEMBL989435 0.79 KEAP1 (0.53) KEAP1IKBKBCHUKPDPK1KDM4E
SCHEMBL988532 0.79 KEAP1 (0.56) KEAP1IKBKBCHUKPDPK1AURKA
SCHEMBL552639 0.79 KEAP1 (0.56) KEAP1IKBKBCHUKPDPK1KDM4E
SCHEMBL3796186 0.76 IKBKB (0.77) KEAP1IKBKBCHUKPTPN1DHODH

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021087087-A1 N-CYCLOHEXYL-5-(THIAZOL-5-YL)-1H-INDOLE-7-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS CD38 INHIBITORS FOR INCREASING NAD+ AND FOR THE TREATMENT OF E.G. MUSCULAR DISORDERS MITOBRIDGE INC. (US) 2021-05-06 WO disclosed
EP-3227275-B1 CD38 INHIBITORS AND METHODS OF TREATMENT GLAXOSMITHKLINE IP NO 2 LTD (GB) 2019-01-02 EP disclosed
WO-2016087975-A1 CD38 INHIBITORS AND METHODS OF TREATMENT GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-06-09 WO disclosed
EP-2565191-B1 4-(Indol-7-ylcarbonylaminomethyl)cyclohexanecarboxylic acid derivatives as EP4 receptor antagonists useful for the treatment of chronic renal failure or diabetic nephropathy ASTELLAS PHARMA INC (JP) 2014-10-08 EP disclosed
US-8598355-B2 Amide compound ASTELLAS PHARMA INC. (JP) 2013-12-03 US disclosed
EP-2565191-A1 4-(Indol-7-ylcarbonylaminomethyl)cyclohexanecarboxylic acid derivatives as EP4 receptor antagonists useful for the treatment of chronic renal failure or diabetic nephropathy Astellas Pharma Inc. (JP) 2013-03-06 EP disclosed
US-20110144153-A1 AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-06-16 US disclosed
CN-1993323-B Indole, indazole or indoline derivatives HOFFMANN LA ROCHE 2011-04-20 CN disclosed
CN-102026961-A Amide compound ASTELLAS PHARMA INC 2011-04-20 CN disclosed
EP-2277858-A1 AMIDE COMPOUND Astellas Pharma Inc. (JP) 2011-01-26 EP disclosed
US-7259183-B2 Indole, indazole and indoline derivatives as CETP inhibitors HOFFMANN-LA ROCHE INC. (US) 2007-08-21 US disclosed
CN-1993323-A Indole, indazole or indoline derivatives HOFFMANN LA ROCHE (CH) 2007-07-04 CN disclosed
EP-1776338-A1 INDOLE, INDAZOLE OR INDOLINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-04-25 EP disclosed
US-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2006-02-09 US disclosed
WO-2006013048-A1 INDOLE, INDAZOLE OR INDOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-02-09 WO 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 (2 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-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors CETP, NAT1, MTTP KEAP1 2635/4885IKBKB 1146/4885CHUK 1341/4885
US-20110144153-A1 AMIDE COMPOUND PTGER4, PTGER1, PTGER2 KEAP1 1302/4885IKBKB 1238/4885CHUK 255/4885

“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.