SCHEMBL1979349

SCHEMBL1979349

COc1ccc(Cc2nc(C(=O)O)cs2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.70
CYP1A2 P05177 3/20 0.70
CYP3A4 P08684 3/20 0.70
CYP2C9 P11712 3/20 0.70
CYP2C19 P33261 3/20 0.70
GAA P10253 2/20 0.70
POLB P06746 2/20 0.70
ALOX12 P18054 1/20 0.70
MAPT P10636 8/20 0.70
SMN1; SMN2 Q16637 4/20 0.70
NPC1 O15118 3/20 0.70
ALDH1A1 P00352 2/20 0.70
RAB9A P51151 3/20 0.66
KMT2A Q03164 2/20 0.66
MEN1 O00255 1/20 0.66
KDM4E B2RXH2 1/20 0.65
RECQL P46063 1/20 0.65
HPGD P15428 1/20 0.65
HTT P42858 2/20 0.63
CYP2D6 P10635 1/20 0.63

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
SCHEMBL4675891 0.83 LMNA (0.61) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4675899 0.83 LMNA (0.61) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5345430 0.83 MAPT (0.72) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1977126 0.82 HDAC1 (0.72) LMNAGAAMAPTSMN1; SMN2NPC1
SCHEMBL3327057 0.81 LMNA (0.65) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1658832 0.80 HDAC1 (0.51) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3558198 0.80 MAPT (0.67) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1198141 0.79 RAB9A (0.71) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL16706875 0.79 MMP13 (0.72) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3957201 0.78 ALDH1A1 (0.69) POLBMAPTSMN1; SMN2NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232302-B2 Thiazoles and oxazoles useful as modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-31 US disclosed
US-20110144123-A1 Thiazoles and Oxazoles Useful as Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-16 US disclosed
US-7846951-B2 Thiazoles and oxazoles useful as modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-07 US disclosed
EP-2140865-A1 Thiazoles and oxazoles useful as modulators of atp-binding cassette transporters Vertex Pharmaceuticals Incorporated (US) 2010-01-06 EP disclosed
EP-1682127-B1 THIAZOLES AND OXAZOLES USEFUL AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2009-07-29 EP disclosed
US-7541368-B2 1-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-{3-[1-(1-methyl-cyclopropanecarbonyl)-piperidin-4-ylmethyl]-phenyl}-urea; use in the treatment of disease states capable of being modulated by the inhibition of p38 kinase and tumor necrosis factor (TNF) AVENTIS PHARMACEUTICALS INC. (US) 2009-06-02 US disclosed
US-20090018140-A1 THIAZOLES AND OXAZOLES USEFUL AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2009-01-15 US disclosed
US-7407976-B2 Thiazoles and oxazoles useful as modulators of ATP-Binding Cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-08-05 US disclosed
EP-1622610-B1 1-(2H-PYRAZOL-3-YL)-3-{4-[1-(BENZOYL)-PIPERIDIN-4-YLMETHYL]-PHENYL}-UREA DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF P38 KINASE AND/OR TNF INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS AVENTIS PHARMA INC (US) 2006-12-20 EP disclosed
EP-1682127-A1 THIAZOLES AND OXAZOLES USEFUL AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2006-07-26 EP disclosed
US-20060063796-A1 Pyrazoles as inhibitors of tumor necrosis factor AVENTIS PHARMACEUTICALS INC. (US) 2006-03-23 US disclosed
EP-1622610-A1 1-(2H-PYRAZOL-3-YL)-3- 4-[1-(BENZOYL)-PIPERIDIN-4-YLMETHYL]-PHENYL -UREA DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF P38 KINASE AND/OR TNF INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS Aventis Pharmaceuticals Inc. (US) 2006-02-08 EP disclosed
US-20050130970-A1 Thiazoles and oxazoles useful as modulators of ATP-Binding Cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2005-06-16 US disclosed
WO-2005049018-A1 THIAZOLES AND OXAZOLES USEFUL AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-06-02 WO disclosed
WO-2004100946-A1 1- (2H-PYRAZOL -3-YL) -3YL) {4-`1- (BENZOYL) -PIPERIDIN-4-YLMETHYL!-PHENYL}-UREA DERIVATIVES AND RELATED COMPOUNDS AS INHBITORS OF P38 KINASE AND/OR TNF INHIBITORS FOR THE TREATMENT OF IMFLAMMATIONS AVENTIS PHARMACEUTICALS INC. (US) 2004-11-25 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-20090018140-A1 THIAZOLES AND OXAZOLES USEFUL AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 LMNA 3915/4885CYP1A2 1896/4885CYP3A4 1098/4885
US-20050130970-A1 Thiazoles and oxazoles useful as modulators of ATP-Binding Cassette transporters CFTR, ABCB1, ABCC2 LMNA 3915/4885CYP1A2 1896/4885CYP3A4 1098/4885
US-20060063796-A1 Pyrazoles as inhibitors of tumor necrosis factor TNF, LITAF, MAPK1 LMNA 2887/4885CYP1A2 374/4885CYP3A4 281/4885
US-20110144123-A1 Thiazoles and Oxazoles Useful as Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 LMNA 3915/4885CYP1A2 1896/4885CYP3A4 1098/4885

“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.