SCHEMBL1467047

SCHEMBL1467047

CC(N)SCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.52
TAAR1 Q96RJ0 2/20 0.52
SLC6A4 P31645 2/20 0.52
MAOA P21397 2/20 0.52
SLC6A3 Q01959 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
CYP2A6 P11509 1/20 0.52
ADORA2A P29274 1/20 0.52
ADORA1 P30542 1/20 0.52
CYP2D6 P10635 2/20 0.48
EPHX1 P07099 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
PRMT1 Q99873 1/20 0.44
IDO1 P14902 3/20 0.43
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42

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
Hydrochloric Acid SCHEMBL1466263 0.98 SLC6A2 (0.50) SLC6A2TAAR1SLC6A4MAOASLC6A3
SCHEMBL560907 0.81 PPARG (0.45) SLC6A2TAAR1SLC6A4MAOASLC6A3
SCHEMBL10899765 0.81 L3MBTL1 (0.47) SLC6A2TAAR1SLC6A4MAOASLC6A3
SCHEMBL9355886 0.79 SLC6A2 (0.45) SLC6A2TAAR1SLC6A4MAOASLC6A3
SCHEMBL11702272 0.78 CYP2D6 (0.46) SLC6A2TAAR1SLC6A4MAOASLC6A3
SCHEMBL9214208 0.78 SLC6A2 (0.55) SLC6A2TAAR1SLC6A4SLC6A3CYP2D6
SCHEMBL24013069 0.77 IDO1 (0.43) SLC6A2TAAR1SLC6A4MAOASLC6A3
SCHEMBL4850434 0.77 PPARG (0.42) SLC6A2TAAR1SLC6A4MAOASLC6A3
SCHEMBL7215558 0.77 PPARG (0.42) SLC6A2TAAR1SLC6A4MAOASLC6A3
SCHEMBL27690898 0.77 PPARG (0.42) SLC6A2TAAR1SLC6A4MAOASLC6A3

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
US-11370736-B2 Synthesis of fluoro hemiacetals via transition metal-catalyzed fluoro ester and carboxamide hydrogenation TRIAD NATIONAL SECURITY, LLC (US) 2022-06-28 US disclosed
US-20200308089-A1 SYNTHESIS OF FLUORO HEMIACETALS VIA TRANSITION METAL-CATALYZED FLUORO ESTER AND CARBOXAMIDE HYDROGENATION U.S. DEPARTMENT OF ENERGY 2020-10-01 US disclosed
US-8518368-B2 Method for the production of hydrogen from ammonia borane KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2013-08-27 US disclosed
US-20110070152-A1 METHOD FOR THE PRODUCTION OF HYDROGEN FROM AMMONIA BORANE KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2011-03-24 US disclosed
EP-2158154-A1 METHOD FOR THE PRODUCTION OF HYDROGEN FROM AMMONIA BORANE Kanata Chemical Technologies Inc. (CA) 2010-03-03 EP disclosed
WO-2008141439-A1 METHOD FOR THE PRODUCTION OF HYDROGEN FROM AMMONIA BORANE KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2008-11-27 WO disclosed
EP-0360637-B1 Benzofuran compounds, process for their preparation, pharmaceutical and cosmetic compositions containing them and use of these compositions OREAL (FR) 1994-05-04 EP disclosed
EP-0260162-B1 BICYCLIC AROMATIC DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINES CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA - CIRD GALDERMA Groupement d'Intérêt Economique dit: (FR) 1990-11-14 EP disclosed
WO-1986006064-A1 NAPHTHALENIC DERIVATIVES WITH RETINOID ACTIVITY, PREPARATION PROCESS THEREOF AND MEDICINAL AND COSMETIC COMPOSITIONS CONTAINING THEM L'OREAL (FR) 1986-10-23 WO 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-20200308089-A1 SYNTHESIS OF FLUORO HEMIACETALS VIA TRANSITION METAL-CATALYZED FLUORO ESTER AND CARBOXAMIDE HYDROGENATION FH, HIRA, HNF4A SLC6A2 2435/4885TAAR1 2454/4885SLC6A4 1107/4885
US-11370736-B2 Synthesis of fluoro hemiacetals via transition metal-catalyzed fluoro ester and carboxamide hydrogenation FH, HIRA, HNF4A SLC6A2 2435/4885TAAR1 2454/4885SLC6A4 1107/4885

“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.