SCHEMBL3102606

SCHEMBL3102606

CC1c2c(c(CC(=O)O)c3cccc(F)n23)CCC1O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 19/20 0.39
PTGDR Q13258 13/20 0.39
CYP2C9 P11712 3/20 0.39
TBXA2R P21731 4/20 0.35
CYP3A4 P08684 2/20 0.35
DRD2 P14416 1/20 0.35
GABRA1 P14867 1/20 0.35
ADRA1D P25100 1/20 0.35
SLC6A3 Q01959 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
SCHEMBL3095947 0.83 PTGDR2 (0.34) PTGDR2PTGDRCYP2C9TBXA2RCYP3A4
SCHEMBL3079794 0.82 PTGDR2 (0.37) PTGDR2PTGDRCYP2C9TBXA2RCYP3A4
SCHEMBL3088524 0.77 PTGDR2 (0.44) PTGDR2PTGDRCYP2C9TBXA2RCYP3A4
SCHEMBL201135 0.75 PTGDR2 (0.35) PTGDR2PTGDRCYP2C9TBXA2RCYP3A4
SCHEMBL15428829 0.73 PTGDR2 (0.42) PTGDR2PTGDRCYP2C9TBXA2RCYP3A4
SCHEMBL3091937 0.70 PTGDR2 (0.43) PTGDR2PTGDRCYP2C9TBXA2RCYP3A4
SCHEMBL3097140 0.70 PTGDR2 (0.43) PTGDR2PTGDRCYP2C9TBXA2RCYP3A4
SCHEMBL3092008 0.69 PTGDR2 (0.35) PTGDR2PTGDRCYP2C9TBXA2RCYP3A4
SCHEMBL3102600 0.64 PTGDR2 (0.52) PTGDR2PTGDRCYP2C9TBXA2RCYP3A4
SCHEMBL15006654 0.60 DRD2 (0.31) PTGDR2PTGDRCYP2C9TBXA2RDRD2

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-9023864-B2 Indole derivatives as CRTH2 receptor antagonists MERCK SHARP & DOHME CORP. (US) 2015-05-05 US disclosed
EP-2401269-B1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-01-29 EP disclosed
US-20130150398-A1 Indole Derivatives as CRTH2 Receptor Antagonists MERCK SHARP & DOHME LLC 2013-06-13 US disclosed
US-8394819-B2 Indole derivatives as CRTH2 receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-03-12 US disclosed
US-20100234415-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-09-16 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-20130150398-A1 Indole Derivatives as CRTH2 Receptor Antagonists PTGER2, PTGDR2, PTGDR PTGDR2 2/4885PTGDR 3/4885CYP2C9 1320/4885
US-20100234415-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS PTGER2, PTGDR2, PTGDR PTGDR2 2/4885PTGDR 3/4885CYP2C9 1320/4885

“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.