SCHEMBL3143317

SCHEMBL3143317

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
TXNRD1 Q16881 8/20 0.39
TDP1 Q9NUW8 1/20 0.38
CTSB P07858 1/20 0.37
CTSH P09668 1/20 0.37
HSD17B10 Q99714 1/20 0.37
THRB P10828 1/20 0.36
RAB9A P51151 2/20 0.36
GFER P55789 2/20 0.36
HSP90AA1 P07900 1/20 0.36
CXCR5 P32302 1/20 0.36
APLNR P35414 1/20 0.36
CCR6 P51684 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 2/20 0.36
PAX8 Q06710 2/20 0.36
S1PR4 O95977 1/20 0.36
S1PR1 P21453 1/20 0.36
MAPK1 P28482 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
SCHEMBL5623673 0.84 CA12 (0.41) CYP3A4TSHRTXNRD1TDP1CTSB
SCHEMBL28946152 0.78 LMNA (0.47) TXNRD1TDP1RAB9AGFERMAPT
SCHEMBL15507741 0.78 S1PR4 (0.46) TXNRD1TDP1RAB9AGFERHSP90AA1
SCHEMBL30810188 0.75 CTSB (0.54) CYP3A4TSHRTDP1CTSBCTSH
SCHEMBL1135629 0.75 CTSB (0.54) CYP3A4TSHRTDP1CTSBCTSH
SCHEMBL3254504 0.75 TXNRD1 (0.39) CYP3A4TSHRTXNRD1TDP1CTSB
SCHEMBL3254567 0.75 CYP3A4 (0.37) CYP3A4TSHRTXNRD1TDP1CTSB
SCHEMBL28946153 0.74 MAPT (0.44) CYP3A4TXNRD1MAPTLMNAALDH1A1
SCHEMBL28946177 0.74 PGK1 (0.46) TXNRD1MAPTMAPK1SMN1; SMN2LMNA
SCHEMBL10133871 0.72 NOS3 (0.43) CYP3A4TDP1KMT2AMAPTMAPK1

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
US-20120245344-A1 GPR119 AGONIST NIPPON CHEMIPHAR CO., LTD. (JP) 2012-09-27 US disclosed
EP-2474540-A1 GPR119 AGONIST Nippon Chemiphar Co., Ltd. (JP) 2012-07-11 EP disclosed
US-20100004272-A1 Modulators of metabolism and the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2010-01-07 US disclosed
US-20100004272-A1 Modulators of metabolism and the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2010-01-07 US disclosed
WO-2009117421-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-09-24 WO disclosed
CN-101484440-A Modulators of metabolism and the treatment of disorders related thereto ARENA PHARM INC (US) 2009-07-15 CN disclosed
EP-2049523-A1 MODULATORS OF METABOLISM AND THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2009-04-22 EP disclosed
WO-2008005576-A1 MODULATORS OF METABOLISM AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2008-01-10 WO 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

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-20070078150-A1 Substituted pyrindinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto PC, GPR119, PNPO CYP3A4 92/4885TSHR 1805/4885TXNRD1 453/4885
US-20100004272-A1 Modulators of metabolism and the treatment of disorders related thereto GPR119, PC, SLC5A1 CYP3A4 82/4885TSHR 2174/4885TXNRD1 1523/4885
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 1399/4885TXNRD1 718/4885
US-20120245344-A1 GPR119 AGONIST GPR119, GPR4, GPR55 CYP3A4 1300/4885TSHR 205/4885TXNRD1 1927/4885

“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.