SCHEMBL3167498

SCHEMBL3167498

CS(=O)(=O)Nc1cccc(Cl)c1-c1nc2ccc(C(=O)O)cc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.53
CHEK2 O96017 8/20 0.50
HDAC6 Q9UBN7 1/20 0.48
EGLN1 Q9GZT9 1/20 0.47
ITGB1 P05556 1/20 0.46
ITGA4 P13612 1/20 0.46
ITGB7 P26010 1/20 0.46
NR4A2 P43354 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
HSP90AA1 P07900 1/20 0.45
ESR2 Q92731 1/20 0.45
POLB P06746 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL3177891 0.85 DGAT1 (0.58) DGAT1CHEK2EGLN1ITGB1ITGA4
SCHEMBL1248933 0.85 DGAT1 (0.64) DGAT1HDAC6MEN1KMT2A
SCHEMBL1248424 0.84 DGAT1 (0.67) DGAT1CHEK2ITGB1ITGA4ITGB7
SCHEMBL4011603 0.81 DGAT1 (0.57) DGAT1CHEK2HDAC6NR4A2TDP1
SCHEMBL3177289 0.79 NR4A2 (0.58) DGAT1CHEK2ITGB1ITGA4ITGB7
SCHEMBL4314154 0.76 DGAT1 (0.53) DGAT1CHEK2HDAC6ITGB1ITGA4
SCHEMBL4314150 0.76 CHEK2 (0.60) DGAT1CHEK2HDAC6ITGB1ITGA4
SCHEMBL1252197 0.76 SMN1; SMN2 (0.55) DGAT1CHEK2HDAC6ITGB1ITGA4
SCHEMBL4157040 0.76 DGAT1 (0.75) DGAT1CHEK2EGLN1ITGB1ITGA4
SCHEMBL1252157 0.75 DGAT1 (0.71) DGAT1CHEK2HDAC6ITGB1ITGA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222248-B2 Organic compounds NOVARTIS AG (CH) 2012-07-17 US claimed
EP-2074089-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-09-18 EP disclosed
US-8222248-B2 Organic compounds NOVARTIS AG (CH) 2012-07-17 US disclosed
US-20100016387-A1 METHOD OF TREATMENT BOSE AVIRUP 2010-01-21 US disclosed
CN-101600437-A method for preventing or treating myocardial ischemia NOVARTIS AG (CH) 2009-12-09 CN disclosed
EP-2101783-A2 METHOD OF PREVENTING OR TREATING MYOCARDIAL ISCHEMIA Novartis Ag (CH) 2009-09-23 EP disclosed
WO-2009112445-A1 METHOD OF INCREASING CELLULAR PHOSPHATIDYL CHOLINE BY DGAT1 INHIBITION NOVARTIS AG (CH) 2009-09-17 WO disclosed
WO-2008073865-A2 METHOD OF PREVENTING OR TREATING MYOCARDIAL ISCHEMIA NOVARTIS AG (CH) 2008-06-19 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 (1 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-20100016387-A1 METHOD OF TREATMENT DGAT1, DGAT2, DGKA DGAT1 1/4885CHEK2 4425/4885HDAC6 303/4885

“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.