SCHEMBL317364

SCHEMBL317364

CCOC(=O)Cn1c(C)c(-c2ccnc3c(C)cc(C)cc23)c2cc(C)ccc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 14/20 0.66
PTGS1 P23219 2/20 0.66
CYP2C9 P11712 1/20 0.66
SLC6A4 P31645 1/20 0.66
CYP2C19 P33261 1/20 0.66
PTGS2 P35354 1/20 0.66
ALDH1A1 P00352 3/20 0.42
HK1 P19367 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HKDC1 Q2TB90 1/20 0.42
KDM4E B2RXH2 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
ALOX15 P16050 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL317802 0.89 PTGDR2 (0.82) PTGDR2PTGS1CYP2C9SLC6A4CYP2C19
SCHEMBL318635 0.85 PTGDR2 (0.79) PTGDR2PTGS1CYP2C9SLC6A4CYP2C19
SCHEMBL317665 0.85 PTGDR2 (0.79) PTGDR2PTGS1CYP2C9SLC6A4CYP2C19
SCHEMBL317141 0.83 PTGDR2 (0.80) PTGDR2PTGS1CYP2C9SLC6A4CYP2C19
SCHEMBL317376 0.82 PTGDR2 (0.80) PTGDR2PTGS1CYP2C9SLC6A4CYP2C19
SCHEMBL317774 0.80 PTGDR2 (0.64) PTGDR2PTGS1CYP2C9SLC6A4CYP2C19
SCHEMBL317491 0.80 PTGDR2 (1.00) PTGDR2PTGS1CYP2C9SLC6A4CYP2C19
SCHEMBL318131 0.79 PTGDR2 (0.80) PTGDR2PTGS1CYP2C9SLC6A4CYP2C19
SCHEMBL318163 0.77 PTGDR2 (0.59) PTGDR2PTGS1CYP2C9SLC6A4CYP2C19
SCHEMBL316998 0.75 PTGDR2 (1.00) PTGDR2PTGS1CYP2C9SLC6A4CYP2C19

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 429/4885PTGS1 413/4885CYP2C9 378/4885
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 54/4885PTGS1 191/4885CYP2C9 3502/4885

“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.