SCHEMBL5628034

SCHEMBL5628034

Cc1ccc(-n2c(C)ccc2-c2cc(Br)ccc2OCc2ccccc2)cc1C(=O)O

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 20/20 0.80
CYP2C9 P11712 2/20 0.74
TBXA2R P21731 1/20 0.67
PTGER4 P35408 1/20 0.67
PTGER3 P43115 1/20 0.67

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
SCHEMBL5627314 0.92 PTGER1 (0.80) PTGER1CYP2C9
SCHEMBL5628977 0.92 PTGER1 (0.86) PTGER1CYP2C9TBXA2RPTGER4PTGER3
SCHEMBL5627471 0.91 PTGER1 (0.78) PTGER1CYP2C9
SCHEMBL5627734 0.90 PTGER1 (0.85) PTGER1CYP2C9
SCHEMBL5630320 0.90 PTGER1 (0.88) PTGER1CYP2C9
SCHEMBL5631647 0.89 PTGER1 (1.00) PTGER1CYP2C9
SCHEMBL6235351 0.88 PTGER1 (0.84) PTGER1CYP2C9TBXA2RPTGER4PTGER3
SCHEMBL5627671 0.88 PTGER1 (0.73) PTGER1CYP2C9
SCHEMBL5631209 0.87 PTGER1 (0.81) PTGER1CYP2C9
SCHEMBL5627460 0.86 PTGER1 (1.00) PTGER1CYP2C9

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
US-20070082912-A1 Pyrrole compounds for the treatment of prostaglandine mediated diseases GLAXO GROUP LIMITED (GB) 2007-04-12 US disclosed
US-20070082912-A1 Pyrrole compounds for the treatment of prostaglandine mediated diseases GLAXO GROUP LIMITED (GB) 2007-04-12 US disclosed
US-20070082912-A1 Pyrrole compounds for the treatment of prostaglandine mediated diseases GLAXO GROUP LIMITED (GB) 2007-04-12 US disclosed
WO-2005010534-A1 EP1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF BENIGN PROSTATIC HYPERTROPHY AND SCREENING METHOD PFIZER LIMITED (GB) 2005-02-03 WO disclosed
US-20050020646-A1 Treatment of BPH PFIZER INC. 2005-01-27 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 (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-20070082912-A1 Pyrrole compounds for the treatment of prostaglandine mediated diseases PTGER1, PTGDR, PTGIR PTGER1 1/4885CYP2C9 132/4885TBXA2R 16/4885
US-20050020646-A1 Treatment of BPH BPHL, PTGER1, PTGER2 PTGER1 2/4885CYP2C9 3082/4885TBXA2R 34/4885

“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.