SCHEMBL2465489

SCHEMBL2465489

CS(=O)(=O)n1cccc1CO

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 7/20 0.41
DDR1 Q08345 2/20 0.38
AGTR1 P30556 1/20 0.37
HTR6 P50406 2/20 0.35
ELAVL1 Q15717 1/20 0.34
KMT2A Q03164 1/20 0.31
APEH P13798 1/20 0.31
PPME1 Q9Y570 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL2468054 0.80 RAPGEF4 (0.44) RAPGEF4DDR1HTR6ELAVL1
SCHEMBL16541861 0.80 RAPGEF4 (0.41) RAPGEF4DDR1HTR6ELAVL1
Hydrochloric Acid SCHEMBL16528866 0.78 RAPGEF4 (0.40) RAPGEF4DDR1HTR6ELAVL1
SCHEMBL2461960 0.76 DDR1 (0.35) RAPGEF4DDR1
SCHEMBL27577523 0.76 RAPGEF4 (0.53) RAPGEF4HTR6KMT2AAPEHPPME1
SCHEMBL29179097 0.75 RAPGEF4 (0.74) RAPGEF4AGTR1KDM4E
SCHEMBL29512049 0.72 HTR6 (0.38) RAPGEF4AGTR1HTR6APEHPPME1
SCHEMBL15155241 0.70 HTR6 (0.39) RAPGEF4DDR1HTR6ELAVL1APEH
SCHEMBL16529666 0.69 BRD9 (0.43) DDR1KDM4E
SCHEMBL27489684 0.69 RAPGEF4 (0.44) RAPGEF4DDR1HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101212973-B 4-phenyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline derivatives as medicaments for the treatment of infertility ORGANON NV 2011-11-16 CN disclosed
US-8022218-B2 Hypogonadism; N-{3-[2-Bromo-4-(3-cyano-2-methyl-5-oxo-7-propyl-1,4,5,6,7,8-hexahydro-quinolin-4-yl)-6-ethoxy-phenoxymethyl]-phenyl}-3,4,5-trimethoxy-benzamide; low molecular weight hormone mimetics; selective Follicle Stimulating Hormone receptor agonists N.V. ORGANON (NL) 2011-09-20 US disclosed
US-20080275042-A1 4-Phenyl-5-Oxo-1,4,5,6,7,8-Hexahydroquinoline Derivatives for the Treatment of Infertility N.V. ORGANON (NL) 2008-11-06 US disclosed
EP-1881830-B1 4-PHENYL-5-OXO-1,4,5,6,7,8-HEXAHYDROQUINOLINE DERIVATIVES THE TREATMENT OF INFERTILITY ORGANON NV (NL) 2008-10-08 EP disclosed
CN-101212973-A 4-phenyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline derivatives as medicaments for the treatment of infertility ORGANON NV (NL) 2008-07-02 CN 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 (1 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-20080275042-A1 4-Phenyl-5-Oxo-1,4,5,6,7,8-Hexahydroquinoline Derivatives for the Treatment of Infertility CATSPER1, ABCB11, ACR RAPGEF4 3534/4885DDR1 3182/4885AGTR1 371/4885

“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.