SCHEMBL985808

SCHEMBL985808

N[C@@H](c1ccccc1)[C@@H](NS(=O)(=O)c1cccc2ccccc12)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.58
SLC1A2 P43004 1/20 0.58
SLC1A1 P43005 1/20 0.58
F2 P00734 2/20 0.47
PRSS1 P07477 2/20 0.47
PRSS2 P07478 2/20 0.47
PRSS3 P35030 2/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
SCN1A P35498 2/20 0.44
SCN2A Q99250 2/20 0.44
SCN3A Q9NY46 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 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
SCHEMBL810061 1.00 SLC1A3 (0.58) SLC1A3SLC1A2SLC1A1F2PRSS1
SCHEMBL31702015 1.00 SLC1A3 (0.58) SLC1A3SLC1A2SLC1A1F2PRSS1
SCHEMBL24541901 1.00 SLC1A3 (0.58) SLC1A3SLC1A2SLC1A1F2PRSS1
SCHEMBL24541928 0.87 SLC1A3 (0.56) SLC1A3SLC1A2SLC1A1F2PRSS1
SCHEMBL3232763 0.79 SLC1A3 (0.56) SLC1A3SLC1A2SLC1A1ALDH1A1CASP1
SCHEMBL7646219 0.79 SLC1A3 (0.56) SLC1A3SLC1A2SLC1A1ALDH1A1CASP1
SCHEMBL14455227 0.79 SLC1A3 (0.40) SLC1A3SLC1A2SLC1A1ALDH1A1CASP1
SCHEMBL7526406 0.79 SLC1A3 (0.56) SLC1A3SLC1A2SLC1A1ALDH1A1CASP1
SCHEMBL810894 0.79 PTGES2 (0.48) SLC1A3SLC1A2SLC1A1PGRACLY
SCHEMBL7613315 0.78 SLC1A3 (0.55) SLC1A3SLC1A2SLC1A1ALDH1A1CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1223998-A Process for producing trans- (R, R) -actinol HOFFMANN LA ROCHE (CH) 1999-07-28 CN claimed
WO-2022127321-A1 NOVEL INTERMEDIATE, PREPARATION METHOD FOR SAME, AND APPLICATIONS THEREOF 四川大学 2022-06-23 WO disclosed
US-7875631-B2 e.g.1-(3,5-dichlorophenyl)-2-formyl-6-methoxy-1,2,3,4-tetrahydroisoquinoline; to prevent and/or treat cancer and other abnormal cell growth, and metabolic as well as blood vessel proliferate disorders, in which uncontrolled expression of insulin-like growth factor-1 receptor is observed ANALYTECON S.A. (CH) 2011-01-25 US disclosed
US-7834190-B2 Process for production of optically active-3-amino-2-hydroxypropionic cyclopropylamide derivatives and salts thereof KANEKA CORPORATION (JP) 2010-11-16 US disclosed
US-20100048909-A1 Process for production of optically active-3-amino-2-hydroxypropionic cyclopropylamide derivatives and salts thereof KANEKA CORPORATION 2010-02-25 US disclosed
EP-2039689-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE 3-AMINO-2 -HYDROXYPROPIONIC CYCLOPROPYLAMIDE DERIVATIVES AND SALTS THEREOF Kaneka Corporation (JP) 2009-03-25 EP disclosed
EP-1732898-B1 TETRAHYDROISOQUINOLINE- AND TETRAHYDROBENZAZEPINE DERIVATIVES AS IGF-1R INHIBITORS ANALYTECON SA (CH) 2008-01-23 EP disclosed
US-20070129399-A1 Tetrahydroisoquinoline-and tetrahydrobenzazepine derivatives as igf-1r inhibitors ANALYTECON S.A. (CH) 2007-06-07 US disclosed
CN-1223998-A Process for producing trans- (R, R) -actinol HOFFMANN LA ROCHE (CH) 1999-07-28 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 (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-20100048909-A1 Process for production of optically active-3-amino-2-hydroxypropionic cyclopropylamide derivatives and salts thereof HPD, HAAO, OGFOD1 SLC1A3 736/4885SLC1A2 320/4885SLC1A1 475/4885
US-20070129399-A1 Tetrahydroisoquinoline-and tetrahydrobenzazepine derivatives as igf-1r inhibitors IGF1R, INSR, GPR119 SLC1A3 1322/4885SLC1A2 1122/4885SLC1A1 1280/4885

“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.