SCHEMBL5854175

SCHEMBL5854175

COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(CCSc4cccs4)C[C@@H]3C(=O)O)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 1.00

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
SCHEMBL6606141 1.00 KCNH2 (1.00) KCNH2
SCHEMBL5853749 1.00 KCNH2 (1.00) KCNH2
SCHEMBL6323427 1.00 KCNH2 (1.00) KCNH2
Hydrochloric Acid SCHEMBL7721167 0.99 KCNH2 (0.99) KCNH2
Hydrochloric Acid SCHEMBL7721165 0.99 KCNH2 (0.99) KCNH2
Hydrochloric Acid SCHEMBL7721162 0.99 KCNH2 (0.99) KCNH2
SCHEMBL7720871 0.96 KCNH2 (0.92) KCNH2
SCHEMBL7720868 0.96 KCNH2 (0.92) KCNH2
SCHEMBL7720875 0.96 KCNH2 (0.92) KCNH2
SCHEMBL6661380 0.93 KCNH2 (0.87) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6982334-B2 powder X-ray diffraction patterns of diastereoisomers; nontoxic bactericide; Staphylococcus aureus, Streptococcus pneumoniae, Enterococcus faecium or Moraxella catharrhalis AVENTIS PHARMA S.A. (FR) 2006-01-03 US claimed
US-6939970-B2 Crystalline form of (3R,4R)-4-[3-(S)-hydroxy-3-(6 methoxyquinolin-4-propyl]-1-[2-2-thienylthio)ethyl] piperidine-3-carboxylic acid AVENTIS PHARMA S. A. (FR) 2005-09-06 US claimed
US-20040147751-A1 Crystalline form of (3R,4R)-4-[3-(S)-Hydroxy-3-(6-methoxyquinolin-4-yl)propyl]-1-[2-(2-thienylthio)ethyl]piperindine-3-carboxylic acid AVENTIS PHARMA S. A. (FR) 2004-07-29 US claimed
US-20040147554-A1 Crystalline form of (3R,4R)-4-[3-(S)-hydroxy-3-(6-methoxy-quinolin-4-yl)propyl]-1-[2-2thienylthio)ethyl] piperidine-3-carboxylic acid AVENTIS PHARMS S.A. (FR) 2004-07-29 US claimed
US-6982334-B2 powder X-ray diffraction patterns of diastereoisomers; nontoxic bactericide; Staphylococcus aureus, Streptococcus pneumoniae, Enterococcus faecium or Moraxella catharrhalis AVENTIS PHARMA S.A. (FR) 2006-01-03 US disclosed
US-6982334-B2 powder X-ray diffraction patterns of diastereoisomers; nontoxic bactericide; Staphylococcus aureus, Streptococcus pneumoniae, Enterococcus faecium or Moraxella catharrhalis AVENTIS PHARMA S.A. (FR) 2006-01-03 US disclosed
US-6982334-B2 powder X-ray diffraction patterns of diastereoisomers; nontoxic bactericide; Staphylococcus aureus, Streptococcus pneumoniae, Enterococcus faecium or Moraxella catharrhalis AVENTIS PHARMA S.A. (FR) 2006-01-03 US disclosed
US-6939970-B2 Crystalline form of (3R,4R)-4-[3-(S)-hydroxy-3-(6 methoxyquinolin-4-propyl]-1-[2-2-thienylthio)ethyl] piperidine-3-carboxylic acid AVENTIS PHARMA S. A. (FR) 2005-09-06 US disclosed
US-6939970-B2 Crystalline form of (3R,4R)-4-[3-(S)-hydroxy-3-(6 methoxyquinolin-4-propyl]-1-[2-2-thienylthio)ethyl] piperidine-3-carboxylic acid AVENTIS PHARMA S. A. (FR) 2005-09-06 US disclosed
EP-1218370-B1 QUINOLYL PROPYL PIPERIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS AVENTIS PHARMA SA (FR) 2004-12-08 EP disclosed
US-20040147751-A1 Crystalline form of (3R,4R)-4-[3-(S)-Hydroxy-3-(6-methoxyquinolin-4-yl)propyl]-1-[2-(2-thienylthio)ethyl]piperindine-3-carboxylic acid AVENTIS PHARMA S. A. (FR) 2004-07-29 US disclosed
US-20040147751-A1 Crystalline form of (3R,4R)-4-[3-(S)-Hydroxy-3-(6-methoxyquinolin-4-yl)propyl]-1-[2-(2-thienylthio)ethyl]piperindine-3-carboxylic acid AVENTIS PHARMA S. A. (FR) 2004-07-29 US disclosed
US-20040147751-A1 Crystalline form of (3R,4R)-4-[3-(S)-Hydroxy-3-(6-methoxyquinolin-4-yl)propyl]-1-[2-(2-thienylthio)ethyl]piperindine-3-carboxylic acid AVENTIS PHARMA S. A. (FR) 2004-07-29 US disclosed
US-20040147554-A1 Crystalline form of (3R,4R)-4-[3-(S)-hydroxy-3-(6-methoxy-quinolin-4-yl)propyl]-1-[2-2thienylthio)ethyl] piperidine-3-carboxylic acid AVENTIS PHARMS S.A. (FR) 2004-07-29 US disclosed
US-20040147554-A1 Crystalline form of (3R,4R)-4-[3-(S)-hydroxy-3-(6-methoxy-quinolin-4-yl)propyl]-1-[2-2thienylthio)ethyl] piperidine-3-carboxylic acid AVENTIS PHARMS S.A. (FR) 2004-07-29 US disclosed
WO-2004060886-A1 (3R, 4R)-4-'3-(S)-HYDROXY-3-(6-MEHTOXYQUINOLIN-4-YL) PROPYLI [-1-'2-(2-THIENYLTHIO) ETHYL ]IPIPERIDINE-3-CARBOXYLIC ACID CRYSTALLINE FORM AVENTIS PHARMA S.A (FR) 2004-07-22 WO disclosed
WO-2004058748-A1 CRYSTALLINE FORM OF (3R,4R)-4-[3-(S)-HYDROXY-3-(6-METHOXYQUINOLINE-4-YL)PROPYL]-1-[2-(2-THIENYLTHIO) ETHYL]PIPERIDINE-3-CARBOXYLIC ACID AVENTIS PHARMA S.A. (FR) 2004-07-15 WO disclosed
WO-2004058748-A1 CRYSTALLINE FORM OF (3R,4R)-4-[3-(S)-HYDROXY-3-(6-METHOXYQUINOLINE-4-YL)PROPYL]-1-[2-(2-THIENYLTHIO) ETHYL]PIPERIDINE-3-CARBOXYLIC ACID AVENTIS PHARMA S.A. (FR) 2004-07-15 WO disclosed
US-6403610-B1 ANTIMICROBIAL AGENTS AVENTIS PHARMA S.A. (FR) 2002-06-11 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 (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-20040147554-A1 Crystalline form of (3R,4R)-4-[3-(S)-hydroxy-3-(6-methoxy-quinolin-4-yl)propyl]-1-[2-2thienylthio)ethyl] piperidine-3-carboxylic acid H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NOD1, NLRP3 KCNH2 871/4885
US-20040147751-A1 Crystalline form of (3R,4R)-4-[3-(S)-Hydroxy-3-(6-methoxyquinolin-4-yl)propyl]-1-[2-(2-thienylthio)ethyl]piperindine-3-carboxylic acid SFPQ, NOD1, NLRP3 KCNH2 1022/4885

“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.