SCHEMBL1465815

SCHEMBL1465815

Cc1c(C(c2ccc(C#N)cc2)S(=O)(=O)c2ccccc2)c2cc(F)ccc2n1CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 19/20 0.50
PTGDR Q13258 3/20 0.44
CYP2C9 P11712 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
STAT3 P40763 1/20 0.44
PTGIR P43119 1/20 0.42

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
SCHEMBL1466631 0.91 PTGDR2 (0.42) PTGDR2PTGDRCYP2C9ALDH1A1
SCHEMBL1466409 0.91 PTGDR2 (0.56) PTGDR2PTGDRCYP2C9PTGIR
SCHEMBL1467977 0.88 PTGDR2 (0.62) PTGDR2PTGDRCYP2C9
SCHEMBL1603176 0.86 PTGDR2 (0.56) PTGDR2PTGDRCYP2C9PTGIR
SCHEMBL1466412 0.83 PTGDR2 (0.51) PTGDR2PTGDRCYP2C9
SCHEMBL1921782 0.82 PTGDR2 (0.57) PTGDR2PTGDRCYP2C9PTGIR
SCHEMBL1465979 0.81 PTGDR2 (0.46) PTGDR2PTGDRCYP2C9ALDH1A1
SCHEMBL1422452 0.80 PTGDR2 (0.52) PTGDR2PTGDRCYP2C9PTGIR
SCHEMBL1467731 0.80 PTGDR2 (0.52) PTGDR2PTGDRCYP2C9PTGIR
SCHEMBL1599312 0.80 PTGDR2 (0.56) PTGDR2PTGDRCYP2C9PTGIR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130225617-A1 INDOLES AND THEIR THERAPEUTIC USE PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 2013-08-29 US disclosed
US-8394836-B2 Indoles and their therapeutic use PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 2013-03-12 US disclosed
EP-2327693-A1 Indoles and their therapeutic use Pulmagen Therapeutics (Asthma) Limited (GB) 2011-06-01 EP disclosed
US-20110071175-A1 Indoles and Their Therapeutic Use GB005, INC. 2011-03-24 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-20130225617-A1 INDOLES AND THEIR THERAPEUTIC USE IDO2, IDO1, RORB PTGDR2 39/4885PTGDR 60/4885CYP2C9 3588/4885
US-20110071175-A1 Indoles and Their Therapeutic Use FPR3, HRH2, HRH4 PTGDR2 161/4885PTGDR 139/4885CYP2C9 1629/4885

“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.