SCHEMBL316963

SCHEMBL316963

COc1ccc2nc(C)cc(-c3c(C)n(CC(=O)O)c4ccc(C)cc34)c2c1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 17/20 0.73
AKR1B1 P15121 2/20 0.54
PTGS1 P23219 2/20 0.53
CYP2C9 P11712 1/20 0.51
SLC6A4 P31645 1/20 0.51
CYP2C19 P33261 1/20 0.51
PTGS2 P35354 1/20 0.51
KDM4E B2RXH2 2/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL2960869 0.99 PTGDR2 (0.71) PTGDR2AKR1B1PTGS1CYP2C9SLC6A4
SCHEMBL2960863 0.99 PTGDR2 (0.71) PTGDR2AKR1B1PTGS1CYP2C9SLC6A4
SCHEMBL2960865 0.91 PTGDR2 (0.61) PTGDR2AKR1B1PTGS1CYP2C9SLC6A4
SCHEMBL317756 0.90 PTGDR2 (0.70) PTGDR2PTGS1CYP2C9CYP2C19ALDH1A1
SCHEMBL318053 0.87 PTGDR2 (0.75) PTGDR2AKR1B1PTGS1CYP2C9SLC6A4
SCHEMBL317173 0.82 PTGDR2 (0.49) PTGDR2CYP2C9CYP2C19KDM4EHPGD
SCHEMBL317093 0.80 PTGDR2 (0.76) PTGDR2AKR1B1PTGS1CYP2C9SLC6A4
SCHEMBL318378 0.79 PTGDR2 (0.66) PTGDR2AKR1B1PTGS1CYP2C9SLC6A4
SCHEMBL317218 0.78 PTGDR2 (0.76) PTGDR2AKR1B1PTGS1CYP2C9SLC6A4
SCHEMBL318108 0.76 PTGDR2 (0.73) PTGDR2AKR1B1PTGS1CYP2C9SLC6A4

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 429/4885AKR1B1 324/4885PTGS1 413/4885
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 54/4885AKR1B1 309/4885PTGS1 191/4885

“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.