SCHEMBL1997547

SCHEMBL1997547

CC(C)c1ccccc1-c1cn(S(=O)(=O)c2ccccc2)c2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.63
L3MBTL1 Q9Y468 1/20 0.56
CA12 O43570 4/20 0.55
CA9 Q16790 4/20 0.55
CA2 P00918 3/20 0.55
CA1 P00915 1/20 0.55
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
DRD2 P14416 3/20 0.51
HTR2A P28223 2/20 0.51
HTR7 P34969 2/20 0.51
HTR1A P08908 1/20 0.49
PLK1 P53350 1/20 0.49

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
SCHEMBL11974281 0.84 HTR6 (0.60) HTR6L3MBTL1CA12CA9CA2
SCHEMBL14451017 0.80 HTR6 (0.85) HTR6L3MBTL1CA12CA9CA2
SCHEMBL1997167 0.78 HTR6 (0.63) HTR6L3MBTL1CA12CA9CA2
SCHEMBL3644542 0.78 HTR6 (1.00) HTR6L3MBTL1CA12CA9CA2
SCHEMBL946781 0.76 HTR6 (0.57) HTR6L3MBTL1CA12CA9CA2
SCHEMBL946542 0.76 LMNA (0.59) HTR6L3MBTL1CA12CA9CA2
SCHEMBL946782 0.76 HTR6 (0.57) HTR6L3MBTL1CA12CA9CA2
SCHEMBL4783302 0.76 HTR6 (0.62) HTR6CYP3A4CYP2D6LMNADRD2
SCHEMBL946541 0.76 LMNA (0.59) HTR6L3MBTL1CA12CA9CA2
SCHEMBL21982734 0.75 HTR6 (0.56) HTR6L3MBTL1CA12CA9CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2077992-B1 INDOLE ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2013-08-14 EP disclosed
US-7960569-B2 Such as 3-(2-isopropylphenyl)-N-phenyl-1H-indol-1-carboxamide; purinergic receptors (P2Y1) BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-14 US disclosed
EP-2077992-A2 INDOLE ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS Brystol-Myers Squibb Company (US) 2009-07-15 EP disclosed
US-20080221197-A1 INDOLE ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2008-09-11 US disclosed
WO-2008048981-A2 INDOLE ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-24 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-20080221197-A1 INDOLE ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS P2RY1, P2RY11, P2RY13 HTR6 51/4885L3MBTL1 4574/4885CA12 4351/4885

“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.