SCHEMBL4401665

SCHEMBL4401665

Cc1ccc(N2CCC(Oc3ccc(S(=O)(=O)NC4CCNCC4)cn3)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIT P10721 5/20 0.43
ALDH1A1 P00352 4/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
GPR119 Q8TDV5 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
UCHL1 P09936 1/20 0.38
USP30 Q70CQ3 1/20 0.38
HTR6 P50406 1/20 0.37
ADRB1 P08588 1/20 0.37
PRKAA2 P54646 1/20 0.37
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL4403535 0.90 ALDH1A1 (0.53) KITALDH1A1CYP3A4TSHRGPR119
SCHEMBL648582 0.88 UCHL1 (0.43) GPR119UCHL1USP30HTR6MAPT
SCHEMBL15480694 0.83 HTT (0.52) ALDH1A1CYP3A4MEN1KMT2APRKAA2
SCHEMBL4405695 0.82 GPR119 (0.60) GPR119MEN1KMT2A
SCHEMBL4405690 0.82 SCN8A (0.43) KITALDH1A1CYP3A4MEN1KMT2A
SCHEMBL12199349 0.82 HTR1A (0.46) HTR6PRKAA2
SCHEMBL4401696 0.81 THRB (0.54) CYP3A4GPR119PRKAA2
SCHEMBL4408231 0.81 PRKAA2 (0.56) ALDH1A1PRKAA2MAPT
SCHEMBL4401672 0.80 LIPE (0.44) CYP3A4GPR119UCHL1USP30PRKAA2
SCHEMBL4405702 0.79 THRB (0.49) ALDH1A1KMT2AUCHL1USP30PRKAA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9511058-B2 Methods for using carboxamide, sulfonamide and amine compounds RIGEL PHARMACEUTICALS INC. (US) 2016-12-06 US disclosed
US-9409884-B2 5- or 6-substituted benzofuran-2-carboxamide compounds and methods for using them RIGEL PHARMACEUTICALS, INC. (US) 2016-08-09 US disclosed
US-9174964-B2 AMPK-activating piperidinyloxy-substituted 2,3-dihydro-1H-indene-1-amine compounds and pharmaceutical compositions including the same RIGEL PHARMACEUTICALS, INC. (US) 2015-11-03 US disclosed
US-20140378429-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using Them RIGEL PHARMACEUTICALS, INC. (US) 2014-12-25 US disclosed
US-20140323460-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds MIDCAP FINANCIAL TRUST 2014-10-30 US disclosed
US-8796254-B2 Methods for using carboxamide, sulfonamide and amine compounds RIGEL PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed
US-20140051673-A1 AMPK-Activating Heterocycloalkyloxy(Hetero)Aryl Carboxamide, Sulfonamide And Amine Compounds And Methods For Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2014-02-20 US disclosed
US-8569340-B2 AMPK-activating piperidinyloxypyiridine carboxamide and sulfonamide compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2013-10-29 US disclosed
US-20120115838-A1 AMPK-Activating Heterocycloalkyloxy(Hetero)Aryl Carboxamide, Sulfonamide And Amine Compounds And Methods For Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2012-05-10 US disclosed
US-20110245222-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds RIGEL PHARMACEUTICALS, INC. (US) 2011-10-06 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 (5 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-20110245222-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds CS, SHMT2, GOT2 KIT 3721/4885ALDH1A1 804/4885CYP3A4 694/4885
US-20140323460-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds CS, SHMT2, GOT2 KIT 3721/4885ALDH1A1 804/4885CYP3A4 694/4885
US-20140051673-A1 AMPK-Activating Heterocycloalkyloxy(Hetero)Aryl Carboxamide, Sulfonamide And Amine Compounds And Methods For Using The Same PRKAA1, PRKAA2, PRKAG1 KIT 1601/4885ALDH1A1 1121/4885CYP3A4 2484/4885
US-20120115838-A1 AMPK-Activating Heterocycloalkyloxy(Hetero)Aryl Carboxamide, Sulfonamide And Amine Compounds And Methods For Using The Same PRKAA1, PRKAA2, PRKAG1 KIT 1601/4885ALDH1A1 1121/4885CYP3A4 2484/4885
US-20140378429-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using Them CPT2, SHMT2, CS KIT 3132/4885ALDH1A1 397/4885CYP3A4 2476/4885

“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.