SCHEMBL649203

SCHEMBL649203

CC(C)(C)OC(=O)N1CCC(NC(=O)c2cc3cc(OC4CCN(c5ccc(C(F)(F)F)cc5)CC4)ccc3o2)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.45
GPR119 Q8TDV5 10/20 0.43
SLC6A4 P31645 1/20 0.42
HDAC6 Q9UBN7 1/20 0.41
USP30 Q70CQ3 1/20 0.41
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
PARP1 P09874 1/20 0.40

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
SCHEMBL649433 0.95 HDAC4 (0.46) HDAC4GPR119SLC6A4HDAC6USP30
SCHEMBL649869 0.95 HDAC4 (0.46) HDAC4GPR119SLC6A4HDAC6USP30
SCHEMBL648600 0.95 HDAC4 (0.46) HDAC4GPR119SLC6A4HDAC6USP30
SCHEMBL4405719 0.92 GPR119 (0.52) GPR119KDM4EUSP2ALDH1A1LMNA
SCHEMBL4403506 0.87 GPR119 (0.48) HDAC4GPR119HDAC6USP30KDM4E
SCHEMBL647519 0.87 GPR119 (0.43) HDAC4GPR119HRH3PARP1
SCHEMBL3659838 0.87 SLC6A4 (0.43) SLC6A4USP30
SCHEMBL648821 0.86 GPR119 (0.43) GPR119USP30
SCHEMBL648611 0.86 PRKAA2 (0.43) SLC6A4KDM4EUSP2ALDH1A1MAPT
SCHEMBL4408236 0.86 GPR119 (0.52) GPR119KDM4EUSP2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231600-A1 CARBOXAMIDE, SULFONAMIDE AND AMINE COMPOUNDS FOR METABOLIC DISORDERS Rigel Pharmaceuticals, Inc. (US) 2010-09-29 EP claimed
US-20090170829-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2009-07-02 US claimed
WO-2009065131-A1 CARBOXAMIDE, SULFONAMIDE AND AMINE COMPOUNDS FOR METABOLIC DISORDERS RIGEL PHARMACEUTICALS, INC. (US) 2009-05-22 WO claimed
US-9511058-B2 Methods for using carboxamide, sulfonamide and amine compounds RIGEL PHARMACEUTICALS INC. (US) 2016-12-06 US disclosed
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-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-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-8119809-B2 AMPK-activating heterocycloalkyloxy(hetero)aryl carboxamide, sulfonamide and amine compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2012-02-21 US disclosed
US-8119809-B2 AMPK-activating heterocycloalkyloxy(hetero)aryl carboxamide, sulfonamide and amine compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2012-02-21 US disclosed
US-8119809-B2 AMPK-activating heterocycloalkyloxy(hetero)aryl carboxamide, sulfonamide and amine compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2012-02-21 US disclosed
US-20110245222-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds RIGEL PHARMACEUTICALS, INC. (US) 2011-10-06 US disclosed
EP-2231600-A1 CARBOXAMIDE, SULFONAMIDE AND AMINE COMPOUNDS FOR METABOLIC DISORDERS Rigel Pharmaceuticals, Inc. (US) 2010-09-29 EP disclosed
US-20090170829-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2009-07-02 US disclosed
US-20090170829-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2009-07-02 US disclosed
US-20090170829-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2009-07-02 US disclosed
WO-2009065131-A1 CARBOXAMIDE, SULFONAMIDE AND AMINE COMPOUNDS FOR METABOLIC DISORDERS RIGEL PHARMACEUTICALS, INC. (US) 2009-05-22 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 (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-20110245222-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds CS, SHMT2, GOT2 HDAC4 335/4885GPR119 709/4885SLC6A4 1035/4885
US-20140323460-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds CS, SHMT2, GOT2 HDAC4 335/4885GPR119 709/4885SLC6A4 1035/4885
US-20140378429-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using Them CPT2, SHMT2, CS HDAC4 1466/4885GPR119 68/4885SLC6A4 2444/4885
US-20090170829-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 HDAC4 550/4885GPR119 15/4885SLC6A4 2178/4885

“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.