SCHEMBL263186

SCHEMBL263186

CC(C)n1cc(C=CC(=O)NS(=O)(=O)c2ccc(Cl)s2)c(=O)c2cc(F)c(NCC3CC3)cc21

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 17/20 0.38
PTGER4 P35408 2/20 0.36
PTGER2 P43116 2/20 0.36
PTGIR P43119 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
P2RY12 Q9H244 1/20 0.35
PTGER1 P34995 1/20 0.35
APP P05067 1/20 0.35
HTR6 P50406 1/20 0.34
PTGFR P43088 1/20 0.32

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
SCHEMBL263185 1.00 PTGER3 (0.38) PTGER3PTGER4PTGER2PTGIRCYP3A4
SCHEMBL261655 0.81 MEN1 (0.33)
SCHEMBL261656 0.81 MEN1 (0.33)
SCHEMBL262193 0.72 P2RY12 (0.44) P2RY12HTR6
SCHEMBL262584 0.66 MEN1 (0.48)
SCHEMBL264869 0.61 FBP1 (0.49) PTGER3HTR6
SCHEMBL9922671 0.61 P2RY12 (0.43) P2RY12APP
SCHEMBL9922944 0.60 P2RY12 (0.42) P2RY12APPHTR6
SCHEMBL9922573 0.59 P2RY12 (0.40) P2RY12APP
SCHEMBL4689679 0.58 P2RY12 (0.56) P2RY12HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629126-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC. (JP) 2014-01-14 US disclosed
US-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2012-05-31 US disclosed
US-8133882-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC (JP) 2012-03-13 US disclosed
EP-1995240-B1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC (JP) 2012-02-22 EP disclosed
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-08-06 US disclosed
EP-1995240-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Astellas Pharma Inc. (JP) 2008-11-26 EP 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 (2 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-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY10, P2RY12, P2RY11 PTGER3 94/4885PTGER4 84/4885PTGER2 169/4885
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY12, P2RY11, P2RY10 PTGER3 79/4885PTGER4 100/4885PTGER2 155/4885

“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.