SCHEMBL130104

SCHEMBL130104

Cc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)[C@@H](N)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
NPSR1 Q6W5P4 4/20 0.53
SLC1A3 P43003 1/20 0.51
SLC1A2 P43004 1/20 0.51
SLC1A1 P43005 1/20 0.51
HTT P42858 2/20 0.49
CA12 O43570 3/20 0.49
CA9 Q16790 3/20 0.49
CA2 P00918 2/20 0.49
CA1 P00915 1/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 1/20 0.47
HPN P05981 2/20 0.47
PLAU P00749 1/20 0.47
CA7 P43166 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
GAA P10253 2/20 0.46

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
SCHEMBL1464202 1.00 ALDH1A1 (0.53) ALDH1A1NPSR1SLC1A3SLC1A2SLC1A1
SCHEMBL10193067 1.00 ALDH1A1 (0.53) ALDH1A1NPSR1SLC1A3SLC1A2SLC1A1
SCHEMBL29500256 1.00 ALDH1A1 (0.53) ALDH1A1NPSR1SLC1A3SLC1A2SLC1A1
SCHEMBL472429 1.00 ALDH1A1 (0.53) ALDH1A1NPSR1SLC1A3SLC1A2SLC1A1
SCHEMBL292958 1.00 ALDH1A1 (0.53) ALDH1A1NPSR1SLC1A3SLC1A2SLC1A1
SCHEMBL258422 1.00 ALDH1A1 (0.53) ALDH1A1NPSR1SLC1A3SLC1A2SLC1A1
SCHEMBL2239236 1.00 ALDH1A1 (0.53) ALDH1A1NPSR1SLC1A3SLC1A2SLC1A1
SCHEMBL13050357 1.00 ALDH1A1 (0.53) ALDH1A1NPSR1SLC1A3SLC1A2SLC1A1
SCHEMBL7089968 0.98 ALDH1A1 (0.52) ALDH1A1NPSR1SLC1A3SLC1A2SLC1A1
P-Xylene SCHEMBL5424500 0.98 ALDH1A1 (0.52) ALDH1A1NPSR1SLC1A3SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4731625-A1 NEW SYNTHESIS METHOD The Heart Research Institute Ltd (AU) 2026-04-29 EP claimed
US-12612400-B2 Pyrrolopyridine derivative preparation method ST PHARM CO., LTD. (KR) 2026-04-28 US claimed
EP-4276101-B1 PYRROLOPYRIDINE DERIVATIVE PREPARATION METHOD ST PHARM CO LTD (KR) 2026-03-04 EP claimed
EP-3818068-B1 NEUROACTIVE STEROIDS AND METHODS OF PREPARATION DRAWBRIDGE PHARMACEUTICALS PTY LTD (AU) 2025-10-29 EP claimed
EP-4613745-A2 PROCESS FOR PREPARING A COT INHIBITOR COMPOUND Gilead Sciences, Inc. (US) 2025-09-10 EP claimed
US-12202820-B2 Pyrimidine derivative and preparation process and use thereof GUANGDONG LEWWIN PHARMACEUTICAL RESEARCH INSTITUTE CO., LTD. (CN) 2025-01-21 US claimed
CN-119285531-A Preparation method of (-) -trans-4- (4-fluorophenyl) -3-hydroxymethyl-1-methylpiperidine 浙江大学 2025-01-10 CN claimed
WO-2024259491-A1 NEW SYNTHESIS METHOD THE HEART RESEARCH INSTITUTE LTD (AU) 2024-12-26 WO claimed
US-12168654-B2 Pyrimidine derivative containing one deuterium atom and preparation process and use thereof GUANGDONG LEWWIN PHARMACEUTICAL RESEARCH INSTITUTE CO., LTD. (CN) 2024-12-17 US claimed
CN-119100972-A Preparation method of paroxetine intermediate 浙江大学 2024-12-10 CN claimed
EP-1346977-B1 Method for producing aryl-aminopropanols SALTIGO GMBH (DE) 2009-07-22 EP claimed
WO-2009012005-A1 PREPARATION OF N-ALKYLATED OPIATES BY REDUCTIVE AMINATION MALLINCKRODT INC. (US) 2009-01-22 WO claimed
WO-2008137672-A1 IMPROVED PROCESS FOR THE PREPARATION OF 6-ALPHA-HYDROXY-N-ALKYLATED OPIATES MALLINCKRODT INC. (US) 2008-11-13 WO claimed
WO-2008073389-A2 PREPARATION OF HEXAHYDROISOQUINOLINES FROM DIHYDROISOQUINOLINES MALLINCKRODT INC. (US) 2008-06-19 WO claimed
US-20030130521-A1 Substituted acetylpyridine derivatives and process for the preparation of intermediates for optically active beta3 agonist by the use of the same KANEKA CORPORATION (JP) 2003-07-10 US claimed
US-6458962-B1 VIRICIDES FOR TREATMENT OF AIDS AND HYDROGENATION OF COMPOUNDS THE UNIVERSITY OF TENNESSEEE RESEARCH CORPORATION 2002-10-01 US claimed
EP-0915076-B1 Process for the preparation of trans-(R,R)-actinol HOFFMANN LA ROCHE (CH) 2002-01-16 EP claimed
EP-1153919-A1 SUBSTITUTED ACETYLPYRIDINE DERIVATIVES AND PROCESS FOR THE PREPARATION OF INTERMEDIATES FOR OPTICALLY ACTIVE BETA3 AGONIST BY THE USE OF THE SAME KANEKA CORPORATION (JP) 2001-11-14 EP claimed
US-6187961-B1 HYDROGENATING (R)-LEVODIONE IN PRESENCE OF HYDROGEN DONAR AND A SOLVENT OR IN PRESENCE OF HYDROGEN DONOR WHICH SIMULTANEOUSLY USED AS THE SOLVENT, AND AN AMINO-AMIDE-RUTHENIUM COMPLEX ROCHE VITAMINS INC. 2001-02-13 US claimed
EP-0915076-A1 Process for the preparation of trans-(R,R)-actinol F. HOFFMANN-LA ROCHE AG (CH) 1999-05-12 EP claimed

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-20030130521-A1 Substituted acetylpyridine derivatives and process for the preparation of intermediates for optically active beta3 agonist by the use of the same ADRB3, ADRB2, ADRB1 ALDH1A1 184/4885NPSR1 284/4885SLC1A3 1594/4885
US-12202820-B2 Pyrimidine derivative and preparation process and use thereof MET, HCCS, MTR ALDH1A1 1010/4885NPSR1 3342/4885SLC1A3 2009/4885
US-12168654-B2 Pyrimidine derivative containing one deuterium atom and preparation process and use thereof DUT, TYMP, DCTD ALDH1A1 3977/4885NPSR1 4630/4885SLC1A3 2915/4885
US-12612400-B2 Pyrrolopyridine derivative preparation method PNP, MAP2K4, MAP2K5 ALDH1A1 686/4885NPSR1 4506/4885SLC1A3 3344/4885

“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.