SCHEMBL1437726

SCHEMBL1437726

CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Cl)c1C

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
HPGD P15428 3/20 0.58
ALDH1A1 P00352 6/20 0.55
MAPK1 P28482 4/20 0.54
HTT P42858 2/20 0.54
LMNA P02545 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TSHR P16473 2/20 0.50
NPSR1 Q6W5P4 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
RAB9A P51151 1/20 0.48
MAPT P10636 1/20 0.48
XBP1 P17861 1/20 0.46
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL16236361 0.84 CYP1A2 (0.50) CYP1A2CYP2C9CYP2C19HPGDALDH1A1
SCHEMBL23923715 0.83 NPSR1 (0.45) CYP1A2CYP2C9CYP2C19HPGDALDH1A1
SCHEMBL23923755 0.79 CYP1A2 (0.59) CYP1A2CYP2C9CYP2C19HPGDALDH1A1
SCHEMBL3585184 0.78 CYP1A2 (0.50) CYP1A2CYP2C9CYP2C19HPGDALDH1A1
SCHEMBL2565795 0.77 CYP1A2 (1.00) CYP1A2CYP2C9CYP2C19HPGDALDH1A1
SCHEMBL3576836 0.77 CYP1A2 (0.53) CYP1A2CYP2C9CYP2C19HPGDALDH1A1
SCHEMBL28527628 0.77 ALDH1A1 (0.65) CYP1A2CYP2C9CYP2C19HPGDALDH1A1
SCHEMBL3575872 0.77 TUBB4A (0.65) CYP1A2CYP2C9CYP2C19HPGDALDH1A1
SCHEMBL3036660 0.76 CYP1A2 (0.70) CYP1A2CYP2C9CYP2C19HPGDALDH1A1
SCHEMBL5229564 0.75 MEN1 (0.61) CYP1A2CYP2C9CYP2C19HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188272-B1 PHENYL- AND BENZYLTHIAZOLYLPIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES REMYND NV (BE) 2016-02-24 EP disclosed
US-8722681-B2 N-sulfonyl thiazolylpiperazine derivatives and related N-sulfonyl heterocyclic derivatives for the treatment of neuro degenerative diseases NV REMYND (BE) 2014-05-13 US disclosed
US-8541406-B2 Thiadiazole derivatives for the treatment of neurodegenerative diseases NV REMYND (BE) 2013-09-24 US disclosed
WO-2012135669-A1 NITROGEN RING CONTAINING COMPOUNDS FOR TREATMENT OF INFLAMMATORY DISORDERS WEINGARTEN M DAVID (US) 2012-10-04 WO disclosed
US-7897776-B2 Sulfonamide containing compounds for treatment of inflammatory disorders SALUTRIA PHARMACEUTICALS LLC (US) 2011-03-01 US disclosed
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2010-10-14 US disclosed
US-20100197703-A1 N-SULFONYL THIAZOLYLPIPERAZINE DERIVATIVES AND RELATED N-SULFONYL HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES NV REMYND (BE) 2010-08-05 US disclosed
EP-2188272-A2 PHENYL- AND BENZYLTHIAZOLYLPIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV Remynd (BE) 2010-05-26 EP disclosed
US-20100113421-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-05-06 US disclosed
US-20090270454-A1 Sulfonamide containing compounds for treatment of inflammatory disorders CRABTREE ACQUISITION CO, LLC 2009-10-29 US disclosed
US-20070072853-A1 Benzimidazole derivatives compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2007-03-29 US disclosed
CN-1926137-A Pyrrole-derivatives as factor Xa inhibitors SANOFI AVENTIS DEUTSCHLAND (DE) 2007-03-07 CN disclosed
US-20070049573-A1 Pyrrole-Derivatives as Factor Xa Inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-03-01 US disclosed
EP-1725550-A2 PYRROLE-DERIVATIVES AS FACTOR XA INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2006-11-29 EP disclosed
EP-1673369-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF AstraZeneca AB (SE) 2006-06-28 EP disclosed
EP-1670790-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF AstraZeneca AB (SE) 2006-06-21 EP disclosed
WO-2005085239-A2 PYRROLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-09-15 WO disclosed
EP-1568698-A1 Pyrrole-derivatives as factor Xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2005-08-31 EP disclosed
WO-2005030761-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2005-04-07 WO disclosed
WO-2005030762-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2005-04-07 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 (6 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-20070072853-A1 Benzimidazole derivatives compositions containing them, preparation thereof and uses thereof RB1, CYP2C19, ADRB3 CYP1A2 67/4885CYP2C9 15/4885CYP2C19 2/4885
US-20100113421-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS RTF1, RNGTT, POLR2E CYP1A2 802/4885CYP2C9 1249/4885CYP2C19 1050/4885
US-20100197703-A1 N-SULFONYL THIAZOLYLPIPERAZINE DERIVATIVES AND RELATED N-SULFONYL HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES SMN1; SMN2, HTT, SNCA CYP1A2 4573/4885CYP2C9 4880/4885CYP2C19 4845/4885
US-20070049573-A1 Pyrrole-Derivatives as Factor Xa Inhibitors F12, F2, F5 CYP1A2 182/4885CYP2C9 192/4885CYP2C19 176/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 CYP1A2 2850/4885CYP2C9 4782/4885CYP2C19 4200/4885
US-20090270454-A1 Sulfonamide containing compounds for treatment of inflammatory disorders STS, SULT2A1, CYP2S1 CYP1A2 96/4885CYP2C9 239/4885CYP2C19 264/4885

“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.