SCHEMBL4440388

SCHEMBL4440388

CCOC(=O)c1nc(C2=C(c3cc(Cl)ccc3OCc3c(F)cc(F)cc3F)CCC2)ccc1C

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 17/20 0.53
CYP2C9 P11712 6/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C19 P33261 1/20 0.53
GABRG2 P18507 3/20 0.37
GABRB3 P28472 3/20 0.37
GABRA5 P31644 3/20 0.37
GABRA1 P14867 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
GABRA4 P48169 1/20 0.37
GABRA6 Q16445 1/20 0.37
TBXA2R P21731 1/20 0.36
PTGER4 P35408 1/20 0.36
PTGER3 P43115 1/20 0.36

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
SCHEMBL4150648 0.93 PTGER1 (0.53) PTGER1CYP2C9CYP3A4CYP2C19GABRG2
SCHEMBL4160045 0.91 PTGER1 (0.59) PTGER1CYP2C9CYP3A4CYP2C19TBXA2R
SCHEMBL4150676 0.91 PTGER1 (0.51) PTGER1CYP2C9CYP3A4CYP2C19GABRG2
SCHEMBL4165802 0.90 PTGER1 (0.67) PTGER1CYP2C9CYP3A4CYP2C19
SCHEMBL13696850 0.89 PTGER1 (0.53) PTGER1CYP2C9CYP3A4CYP2C19
SCHEMBL4160104 0.89 PTGER1 (0.58) PTGER1CYP2C9CYP3A4CYP2C19TBXA2R
SCHEMBL4149717 0.88 PTGER1 (0.43) PTGER1CYP2C9CYP3A4CYP2C19
SCHEMBL4162877 0.88 PTGER1 (0.49) PTGER1CYP2C9CYP3A4CYP2C19GABRG2
SCHEMBL4168507 0.88 PTGER1 (0.55) PTGER1CYP2C9CYP3A4CYP2C19GABRG2
SCHEMBL4163533 0.87 PTGER1 (0.57) PTGER1CYP2C9CYP3A4CYP2C19

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-20090227591-A1 Cyclopentene compounds GLAXO GROUP LIMITED (GB) 2009-09-10 US disclosed
US-20090227591-A1 Cyclopentene compounds GLAXO GROUP LIMITED (GB) 2009-09-10 US disclosed
US-20090227591-A1 Cyclopentene compounds GLAXO GROUP LIMITED (GB) 2009-09-10 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-20090227591-A1 Cyclopentene compounds C1R, CYP1B1, ADORA2B PTGER1 246/4885CYP2C9 5/4885CYP3A4 271/4885

“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.