Sugi Predict

Sugi Predict / Compounds / SCHEMBL1177709

SCHEMBL1177709

SCHEMBL1177709

Cc1ccc(C(C(=O)O)C2CCCC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR1E P28566 2/20 0.60
▸ S1PR3 Q99500 2/20 0.60
▸ TSHR P16473 2/20 0.48
▸ CHRM3 P20309 3/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ ALOX5 P09917 2/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ HTT P42858 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL1177706 1.00 HTR1E (0.60) HTR1ES1PR3TSHRCHRM3MEN1
SCHEMBL28181806 0.98 HTR1E (0.58) HTR1ES1PR3TSHRCHRM3MEN1
SCHEMBL11157600 0.93 HTR1E (0.51) HTR1ES1PR3TSHRCHRM3MEN1
SCHEMBL16975845 0.86 HTR1E (0.56) HTR1ES1PR3TSHRCHRM3MEN1
SCHEMBL6218048 0.85 HTR1E (0.46) HTR1ES1PR3TSHRLMNAHTT
SCHEMBL6218234 0.85 HTR1E (0.46) HTR1ES1PR3TSHRLMNAHTT
SCHEMBL5053665 0.84 HTR1E (0.55) HTR1ES1PR3TSHRCHRM3MEN1
SCHEMBL4242909 0.84 ALOX5 (0.49) HTR1ES1PR3CHRM3MEN1LMNA
SCHEMBL28622389 0.83 HTR1E (0.65) HTR1ES1PR3TSHRCHRM3MEN1
SCHEMBL69127 0.83 HTR1E (0.65) HTR1ES1PR3TSHRCHRM3MEN1

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
CN-1184109-A Process for the preparation of enantiomerically pure cycloalkanolindoleindole-and azaindole-and pyrimido [1, 2-a ] -indole-carboxylic acids and active derivatives thereof BAYER AG (DE) 1998-06-10 — — CN claimed
CN-105085355-B A kind of substituted pyrrolidine carboxylic acid's ester type compound and its preparation method and application 御盛隆堂药业有限责任公司 2017-11-14 — — CN disclosed
US-9018258-B2 Substituted 1-benzylcycloalkylcarboxylic acids and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-28 — — US disclosed
US-8987256-B2 Oxo-heterocyclic substituted carboxylic acid derivatives and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 — — US disclosed
US-20120172448-A1 Substituted 1-benzylcycloalkylcarboxylic acids and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-07-05 — — US disclosed
US-20110034450-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIEGESELLSCHAFT (DE) 2011-02-10 — — US disclosed
US-6858622-B2 Cycloalkano-indole and -azaindole derivatives BAYER AKTIENGESELLSCHAFT (DE) 2005-02-22 — — US disclosed
US-20030149073-A1 Cycloalkano-indole and -azaindole derivatives MULLER ULRICH (DE) 2003-08-07 — — US disclosed
US-6479503-B2 SUCH AS 2-(S/R)-2-(4-(2,4-DIMETHYL-5,6,7,8-TETRAHYDRO-ALPHA-CARBOLIN-9-YL)METHYL -PHENYL)-2-CYCLOPENTYL-ACETIC ACID N-((R)PHENYLGLYCINOAMIDE) FOR TREATING ATHEROSCLEROSIS BAYER AKTIENGESELLSCHAFT (DE) 2002-11-12 — — US disclosed
US-20020147209-A1 Cycloalkano-indole and -azaindole derivatives MUELLER ULRICH (DE) 2002-10-10 — — US disclosed
US-6034115-A ANTICHOLESTEROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2000-03-07 — — US disclosed
US-6025378-A ANTIATHEROSCLEROTIC ACTION. BAYER AKTIENGESELLSCHAFT (DE) 2000-02-15 — — US disclosed
US-5811429-A ANTIATHEROSCLEROTIC AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1998-09-22 — — US disclosed
US-5776964-A HYPOTENSIVE AGENTS; ANTICHOLESTEROL AGENTS; CARDIOVASCULAR DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1998-07-07 — — US disclosed
US-5714494-A FOR TREATING ATHEROSCLEROSIS BAYER AKTIENGESELLSCHAFT (DE) 1998-02-03 — — US disclosed
US-5684014-A FOR TREATING ATHEROSCLEROSIS BAYER AKTIENGESELLSCHAFT (DE) 1997-11-04 — — US disclosed
US-5576342-A ANGIOTENSIN INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 1996-11-19 — — US disclosed
US-5521206-A HYPOTENSIVE AGENTS, TREATMENT OF ATHEROSCLEROSIS BAYER AKTIENGESELLSCHAFT (DE) 1996-05-28 — — US disclosed
US-5459156-A Angiotensin converting enzyme inhibitors, hypotensive, atherosclerosis BAYER AKTIENGESELLSCHAFT (DE) 1995-10-17 — — US disclosed
US-5352687-A Hypotensive agents BAYER AKTIENGESELLSCHAFT (DE) 1994-10-04 — — 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 (4 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-20030149073-A1 Cycloalkano-indole and -azaindole derivatives AADAC, IDO1, AADAT HTR1E 926/4885S1PR3 255/4885TSHR 3042/4885
US-20110034450-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF OTC, PC, HCAR2 HTR1E 4408/4885S1PR3 3654/4885TSHR 3706/4885
US-20020147209-A1 Cycloalkano-indole and -azaindole derivatives AADAC, IDO1, AADAT HTR1E 926/4885S1PR3 255/4885TSHR 3042/4885
US-20120172448-A1 Substituted 1-benzylcycloalkylcarboxylic acids and the use thereof PC, ACACA, PCCA HTR1E 4199/4885S1PR3 2578/4885TSHR 4200/4885

“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.