SCHEMBL1106920

SCHEMBL1106920

Clc1ccc(-c2ncco2)c(OCc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 9/20 0.47
SLC6A4 P31645 1/20 0.44
SGMS2 Q8NHU3 2/20 0.43
KMT2A Q03164 1/20 0.43
LRRK2 Q5S007 1/20 0.42
KDM5A P29375 1/20 0.42
KDM2B Q8NHM5 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
PLAU P00749 1/20 0.41
BRD4 O60885 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41

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
SCHEMBL8051558 0.83 BRD4 (0.57) PTGER1SGMS2KMT2ABRD4
Pyridine SCHEMBL28554937 0.78 BRD4 (0.52) PTGER1SGMS2KMT2ABRD4
SCHEMBL1116613 0.77 GCGR (0.40) PTGER1KMT2AKDM5AKDM2BKDM4C
SCHEMBL21434681 0.77 BRD4 (0.51) PTGER1SLC6A4SGMS2KMT2APLAU
SCHEMBL1425671 0.75 PTGER1 (0.47) PTGER1SLC6A4SGMS2KMT2ABRD4
SCHEMBL11357103 0.75 PTGER1 (0.51) PTGER1SLC6A4HTR2CHTR2B
SCHEMBL2092181 0.74 BRD4 (0.41) SGMS2LRRK2BRD4
SCHEMBL1107053 0.73 PTGDR (0.46) KMT2A
SCHEMBL31517973 0.73 SMN1; SMN2 (0.44) SGMS2LRRK2PLAUBRD4
SCHEMBL12002483 0.73 LRRK2 (0.38) PTGER1SGMS2LRRK2BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9440938-B2 Sulfonamide derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2016-09-13 US disclosed
US-20150158833-A1 SULFONAMIDE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO (JP) 2015-06-11 US disclosed
US-8153793-B2 Sulfonamide derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-04-10 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 (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-20150158833-A1 SULFONAMIDE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY PTGDR, PTGDR2, CNR2 PTGER1 7/4885SLC6A4 1329/4885SGMS2 1154/4885

“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.