SCHEMBL649505

SCHEMBL649505

O=C(NC1CCN(S(=O)(=O)c2cccnc2)CC1)c1cc2ccc(OC3CCN(c4ccc(C(F)(F)F)cc4)CC3)cc2o1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.42
MMP2 P08253 3/20 0.42
MMP13 P45452 3/20 0.42
RAB9A P51151 1/20 0.42
SLC6A5 Q9Y345 1/20 0.41
TPSAB1 Q15661 1/20 0.41
SLC6A4 P31645 1/20 0.40
EPHX1 P07099 1/20 0.40
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TGM2 P21980 1/20 0.39
PRKAA2 P54646 1/20 0.38

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
SCHEMBL16927797 0.95 CHRNB2 (0.42) NAMPTMMP2MMP13RAB9ASLC6A5
SCHEMBL648783 0.93 SMN1; SMN2 (0.46) NAMPTMMP2MMP13RAB9ATPSAB1
SCHEMBL4458748 0.92 NAMPT (0.44) NAMPTRAB9ATPSAB1MEN1KMT2A
SCHEMBL648628 0.91 CHRNB2 (0.41) NAMPTMMP2MMP13RAB9ASLC6A5
SCHEMBL648627 0.91 CHRNB2 (0.41) NAMPTMMP2MMP13RAB9ASLC6A5
SCHEMBL4403519 0.91 NAMPT (0.46) NAMPTRAB9ATPSAB1MEN1KMT2A
SCHEMBL16927791 0.88 SMN1; SMN2 (0.45) NAMPTMMP2MMP13RAB9ATPSAB1
SCHEMBL648168 0.86 SLC6A5 (0.58) SLC6A5SLC6A4
SCHEMBL648854 0.83 PRKAA2 (0.44) NAMPTSLC6A5SLC6A4GAAPRKAA2
SCHEMBL4402680 0.82 CHRNB2 (0.44) NAMPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231600-B1 CARBOXAMIDE, SULFONAMIDE AND AMINE COMPOUNDS FOR METABOLIC DISORDERS RIGEL PHARMACEUTICALS INC (US) 2015-07-29 EP claimed
US-8796254-B2 Methods for using carboxamide, sulfonamide and amine compounds RIGEL PHARMACEUTICALS, INC. (US) 2014-08-05 US claimed
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 claimed
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
CN-111212883-B Volatile material emitting composition 住友精化株式会社 2023-08-15 CN disclosed
CN-107250456-B Solid compositions comprising quaternary ammonium compounds and polysaccharides, processes and uses thereof 罗地亚经营管理公司 2020-12-25 CN disclosed
CN-111212883-A Volatile material emitting composition 住友精化株式会社 2020-05-29 CN disclosed
CN-110475862-A Detergent composition CONOPCO INC 2019-11-19 CN disclosed
CN-109844083-A whitening composition 荷兰联合利华有限公司 2019-06-04 CN disclosed
CN-108699490-A Lightening compositions 荷兰联合利华有限公司 2018-10-23 CN disclosed
CN-108603139-A Whitening composition 荷兰联合利华有限公司 2018-09-28 CN disclosed
US-20110245222-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds RIGEL PHARMACEUTICALS, INC. (US) 2011-10-06 US disclosed
EP-2111214-B1 MICROCAPSULES GIVAUDAN SA (CH) 2011-04-13 EP disclosed
US-20100009893-A1 Microcapsules GIVAUDAN SA (CH) 2010-01-14 US disclosed
EP-2111214-A1 MICROCAPSULES Givaudan SA (CH) 2009-10-28 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
WO-2008098387-A1 MICROCAPSULES GIVAUDAN SA (CH) 2008-08-21 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-20110245222-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds CS, SHMT2, GOT2 NAMPT 291/4885MMP2 2956/4885MMP13 3119/4885
US-20090170829-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 NAMPT 172/4885MMP2 4740/4885MMP13 4810/4885

“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.