SCHEMBL317297

SCHEMBL317297

Cc1c(I)c2cc(Cl)ccc2n1CC(=O)O

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 19/20 0.63
CYP2C9 P11712 1/20 0.54
AKR1B1 P15121 5/20 0.53
PTGS1 P23219 1/20 0.51

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
SCHEMBL1406030 0.78 PTGDR2 (1.00) PTGDR2CYP2C9AKR1B1
SCHEMBL1385122 0.77 PTGDR2 (0.87) PTGDR2CYP2C9AKR1B1
SCHEMBL5310742 0.76 PTGDR2 (0.60) PTGDR2CYP2C9AKR1B1
SCHEMBL5313741 0.75 PTGDR2 (0.54) PTGDR2CYP2C9AKR1B1PTGS1
SCHEMBL1758007 0.75 PTGDR2 (0.62) PTGDR2PTGS1
SCHEMBL27520426 0.75 KDM4E (0.72) PTGDR2AKR1B1
SCHEMBL21032471 0.74 PTGDR2 (0.57) PTGDR2CYP2C9AKR1B1PTGS1
SCHEMBL3372368 0.74 PTGDR2 (0.76) PTGDR2CYP2C9AKR1B1
SCHEMBL5310737 0.74 PTGDR2 (0.56) PTGDR2CYP2C9AKR1B1PTGS1
SCHEMBL27605874 0.73 PTGDR2 (0.65) PTGDR2CYP2C9AKR1B1PTGS1

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-8093278-B2 Substituted indoles ASTRAZENECA AB (SE) 2012-01-10 US disclosed
US-20100210685-A1 Novel Substituted Indoles ASTRAZENECA AB (SE) 2010-08-19 US disclosed
US-7754735-B2 Substituted indoles ASTRAZENECA AB (SE) 2010-07-13 US disclosed
US-20050222201-A1 such as 3-(2-chloro-4-quinolinyl)-2,5-dimethyl-1H-indole-1-acetic acid, used for treating respiratory system disorders and as inhibitors of G protein-coupled receptor chemoattractant homologous receptor expressed on lymphocyte cells (CRTH2) ASTRAZENECA AB (SE) 2005-10-06 US disclosed
EP-1549634-A1 NOVEL SUBSTITUTED INDOLES AstraZeneca AB (SE) 2005-07-06 EP disclosed
WO-2003101981-A1 NOVEL SUBSTITUTED INDOLES ASTRAZENECA AB (SE) 2003-12-11 WO 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-20100210685-A1 Novel Substituted Indoles IDO1, IDO2, TPH1 PTGDR2 429/4885CYP2C9 378/4885AKR1B1 324/4885
US-20050222201-A1 such as 3-(2-chloro-4-quinolinyl)-2,5-dimethyl-1H-indole-1-acetic acid, used for treating respiratory system disorders and as inhibitors of G protein-coupled receptor chemoattractant homologous receptor expressed on lymphocyte cells (CRTH2) HRH2, HRH1, HCAR2 PTGDR2 54/4885CYP2C9 3502/4885AKR1B1 309/4885

“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.