SCHEMBL3254567

SCHEMBL3254567

Cc1nc(C(C)(C)S(C)(=O)=O)ccc1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
MAPT P10636 3/20 0.37
NPSR1 Q6W5P4 3/20 0.37
PAX8 Q06710 2/20 0.37
S1PR4 O95977 2/20 0.37
S1PR1 P21453 2/20 0.37
MAPK1 P28482 2/20 0.37
RAB9A P51151 1/20 0.37
GFER P55789 1/20 0.37
TXNRD1 Q16881 3/20 0.36
HTT P42858 2/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
JAK2 O60674 1/20 0.36
HSP90AA1 P07900 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 3/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL12040982 0.83 TSHR (0.48) CYP3A4TSHRMAPTNPSR1PAX8
SCHEMBL3143317 0.75 CYP3A4 (0.40) CYP3A4TSHRMAPTNPSR1PAX8
SCHEMBL3257531 0.75 ALDH1A1 (0.37) CYP3A4MAPTRAB9AHSP90AA1KMT2A
SCHEMBL19433209 0.72 MAPT (0.47) CYP3A4TSHRMAPTMAPK1RAB9A
SCHEMBL19433305 0.72 ALDH1A1 (0.42) TSHRMAPTPAX8RAB9AHTT
SCHEMBL30810188 0.71 CTSB (0.54) CYP3A4TSHRMAPTHTTKMT2A
SCHEMBL1135629 0.71 CTSB (0.54) CYP3A4TSHRMAPTHTTKMT2A
SCHEMBL3254504 0.71 TXNRD1 (0.39) CYP3A4TSHRMAPTRAB9ATXNRD1
SCHEMBL5623673 0.70 CA12 (0.41) CYP3A4TSHRMAPTTXNRD1HTT
SCHEMBL18188343 0.69 TSHR (0.41) CYP3A4TSHRMAPTNPSR1S1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362248-B2 Substituted pyridinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2013-01-29 US disclosed
US-8362248-B2 Substituted pyridinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2013-01-29 US disclosed
US-8362248-B2 Substituted pyridinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2013-01-29 US disclosed
EP-1911756-B9 Substituted pyridinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto ARENA PHARM INC (US) 2010-05-26 EP disclosed
EP-1911756-B1 Substituted pyridinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto ARENA PHARM INC (US) 2009-10-21 EP disclosed
EP-1911756-A2 Substituted pyridinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto Arena Pharmaceuticals, Inc. (US) 2008-04-16 EP disclosed
EP-1732562-B1 SUBSTITUTED PYRIDINYL AND PYRIMIDINYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2007-12-19 EP disclosed
EP-1732562-B1 SUBSTITUTED PYRIDINYL AND PYRIMIDINYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2007-12-19 EP disclosed
US-20070167473-A1 Substituted pyridinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. 2007-07-19 US disclosed
US-20070167473-A1 Substituted pyridinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. 2007-07-19 US disclosed
US-20070167473-A1 Substituted pyridinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. 2007-07-19 US disclosed
US-20070078150-A1 Substituted pyrindinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2007-04-05 US disclosed
US-20070078150-A1 Substituted pyrindinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2007-04-05 US disclosed
US-20070078150-A1 Substituted pyrindinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2007-04-05 US disclosed
EP-1732562-A2 SUBSTITUTED PYRIDINYL AND PYRIMIDINYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2006-12-20 EP disclosed
WO-2006083491-A2 SUBSTITUTED PYRIDINYL AND PYRIMIDINYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2006-08-10 WO disclosed
US-20060155128-A1 Substituted pyridinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. 2006-07-13 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 (3 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-20070078150-A1 Substituted pyrindinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto PC, GPR119, PNPO CYP3A4 92/4885TSHR 1805/4885MAPT 4243/4885
US-20070167473-A1 Substituted pyridinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto PLPBP, PNPO, PDXK CYP3A4 81/4885TSHR 1399/4885MAPT 3480/4885
US-20060155128-A1 Substituted pyridinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto PNPO, PLPBP, FPGS CYP3A4 108/4885TSHR 1745/4885MAPT 3761/4885

“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.