SCHEMBL2963134

SCHEMBL2963134

Cc1ccc2[nH]c(C)c(-c3ccc4cccc(S(C)(=O)=O)c4n3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.41
CHEK1 O14757 1/20 0.38
MAP3K14 Q99558 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
EIF2AK2 P19525 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
HSD17B10 Q99714 3/20 0.36
HPGD P15428 2/20 0.36
GFER P55789 2/20 0.36
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.35
FLT3 P36888 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
CDK5 Q00535 1/20 0.35

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
SCHEMBL317489 0.84 AR (0.45) CHEK1MAP3K14EIF2AK2CYP1A2CYP2C9
SCHEMBL317121 0.80 PDE10A (0.42) MAP3K14EIF2AK2ALDH1A1MEN1KMT2A
SCHEMBL317769 0.79 MAP3K14 (0.37) CHEK1MAP3K14PTGDR2EIF2AK2CYP1A2
SCHEMBL2952530 0.76 MEN1 (0.36) MAP3K14EIF2AK2CYP1A2CYP2C9KDM4E
SCHEMBL2958727 0.68 PTGDR2 (0.48) PTGS2PTGDR2EIF2AK2KDM4EALDH1A1
SCHEMBL317230 0.66 MEN1 (0.44) PTGS2CHEK1PTGDR2CYP1A2CYP2C9
SCHEMBL2959357 0.66 MAP3K14 (0.48) PTGS2CHEK1MAP3K14PTGDR2EIF2AK2
SCHEMBL1758180 0.65 LMNA (0.69) CHEK1MAP3K14EIF2AK2CYP1A2CYP2C9
SCHEMBL317569 0.64 MAPT (0.39) PTGS2CHEK1MAP3K14EIF2AK2CYP1A2
SCHEMBL3981072 0.63 KDM4E (0.65) PTGS2CYP1A2CYP2C9KDM4EALDH1A1

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-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 PTGS2 559/4885CHEK1 4086/4885MAP3K14 3677/4885
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 PTGS2 169/4885CHEK1 4585/4885MAP3K14 2656/4885

“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.