SCHEMBL719388

SCHEMBL719388

Cc1ccc(S(=O)(=O)Oc2cc(C(F)(F)F)nc(N)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.51
P2RY12 Q9H244 1/20 0.50
PTGS2 P35354 6/20 0.48
HSP90AA1 P07900 2/20 0.46
HSP90AB1 P08238 1/20 0.46
SDHB P21912 1/20 0.42
CYP1A2 P05177 1/20 0.41
PTGS1 P23219 3/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
CA2 P00918 2/20 0.38
PTGES O14684 1/20 0.38
HDAC3 O15379 1/20 0.38
PDPK1 O15530 1/20 0.38
CA12 O43570 1/20 0.38

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
SCHEMBL13125431 0.83 HSP90AA1 (0.57) CYP2C19P2RY12HSP90AA1CYP1A2KEAP1
SCHEMBL9621580 0.83 P2RY12 (0.64) CYP2C19P2RY12HSP90AA1CYP1A2KEAP1
SCHEMBL10993472 0.75 CYP2C19 (0.48) CYP2C19P2RY12HSP90AA1CYP1A2KEAP1
SCHEMBL10986666 0.74 CYP2C19 (0.46) CYP2C19P2RY12HSP90AA1CYP1A2KEAP1
SCHEMBL9804556 0.71 CYP2C19 (0.52) CYP2C19P2RY12HSP90AA1CYP1A2KEAP1
SCHEMBL5891451 0.71 HSP90AA1 (0.58) PTGS2HSP90AA1HSP90AB1KDM4EHSD17B10
SCHEMBL9938291 0.71 P2RY12 (0.53) CYP2C19P2RY12HSP90AA1CYP1A2KEAP1
SCHEMBL3057367 0.70 PKM (0.46) CYP2C19P2RY12PTGS2SDHBPTGS1
SCHEMBL11904550 0.69 MEN1 (0.47) CYP2C19PTGS2SDHBCYP1A2PTGS1
SCHEMBL7806822 0.68 HSP90AA1 (0.53) PTGS2HSP90AA1HSP90AB1CYP1A2KDM4E

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-20120302587-A1 RHO-KINASE INHIBITORS NAGARAHNAM DHANAPALAN (US) 2012-11-29 US disclosed
US-20120302587-A1 RHO-KINASE INHIBITORS NAGARAHNAM DHANAPALAN (US) 2012-11-29 US disclosed
US-20120302587-A1 RHO-KINASE INHIBITORS NAGARAHNAM DHANAPALAN (US) 2012-11-29 US disclosed
EP-1470121-B1 PYRIMIDINE DERIVATIVES AS RHO-KINASE INHIBITORS BAYER HEALTHCARE LLC (US) 2012-07-11 EP disclosed
US-20120053179-A1 Rho-Kinase Inhibitors NAGARATHNAM DHANAPALAN (US) 2012-03-01 US disclosed
US-20120053179-A1 Rho-Kinase Inhibitors NAGARATHNAM DHANAPALAN (US) 2012-03-01 US disclosed
US-20120053179-A1 Rho-Kinase Inhibitors NAGARATHNAM DHANAPALAN (US) 2012-03-01 US disclosed
EP-1470122-B1 RHO-KINASE INHIBITORS BAYER PHARMACEUTICALS CORP (US) 2007-12-19 EP disclosed
EP-1470122-B1 RHO-KINASE INHIBITORS BAYER PHARMACEUTICALS CORP (US) 2007-12-19 EP disclosed
US-20050209261-A1 Rho-kinase inhibitors BAYER HEALTHCARE LLC 2005-09-22 US disclosed
US-6943172-B2 Rho-kinase inhibitors BAYER PHARMACEUTICALS CORPORATION (US) 2005-09-13 US disclosed
US-20050192304-A1 Rho-kinase inhibitors BAYER HEALTHCARE LLC 2005-09-01 US disclosed
US-6924290-B2 Rho-kinase inhibitors BAYER PHARMACEUTICALS CORPORATION (US) 2005-08-02 US disclosed
US-20040002508-A1 Antitumor agents; anticancer agents; sexual disorders; cardiovascular disorders BAYER CORPORATION 2004-01-01 US disclosed
US-20040002507-A1 Rho-kinase inhibitors BAYER CORPORATION (US) 2004-01-01 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 (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-20040002507-A1 Rho-kinase inhibitors CIT, ROCK1, ROCK2 CYP2C19 1525/4885P2RY12 4367/4885PTGS2 688/4885
US-20120053179-A1 Rho-Kinase Inhibitors CIT, ROCK1, ROCK2 CYP2C19 1525/4885P2RY12 4367/4885PTGS2 688/4885
US-20050209261-A1 Rho-kinase inhibitors CIT, ROCK1, ROCK2 CYP2C19 1525/4885P2RY12 4367/4885PTGS2 688/4885
US-20040002508-A1 Antitumor agents; anticancer agents; sexual disorders; cardiovascular disorders CIT, ROCK1, RHOT2 CYP2C19 1383/4885P2RY12 4436/4885PTGS2 1424/4885
US-20120302587-A1 RHO-KINASE INHIBITORS CIT, ROCK1, ROCK2 CYP2C19 1525/4885P2RY12 4367/4885PTGS2 688/4885
US-20050192304-A1 Rho-kinase inhibitors CIT, ROCK1, ROCK2 CYP2C19 1525/4885P2RY12 4367/4885PTGS2 688/4885

“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.