SCHEMBL2187304

SCHEMBL2187304

CCCC(C(=O)O)c1c2n(c3c(F)cccc13)C[C@H](NC)CC2

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.40
TBXA2R P21731 5/20 0.40
PTGDR Q13258 5/20 0.40
CYP2C9 P11712 2/20 0.40
HRH4 Q9H3N8 2/20 0.33
PSIP1 O75475 1/20 0.32
DRD2 P14416 2/20 0.31
DRD3 P35462 2/20 0.31
CYP2D6 P10635 1/20 0.31
UBE2M P61081 2/20 0.31
DCUN1D1 Q96GG9 2/20 0.31

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
SCHEMBL2188342 0.84 PTGDR2 (0.41) PTGDR2TBXA2RPTGDRPSIP1
SCHEMBL12002786 0.80 CYP2C9 (0.36) PTGDR2TBXA2RPTGDRCYP2C9PSIP1
SCHEMBL15006653 0.80 PTGDR2 (0.44) PTGDR2TBXA2RPTGDRCYP2C9DRD2
SCHEMBL15428828 0.79 PTGDR2 (0.60) PTGDR2TBXA2RPTGDRCYP2C9DRD2
SCHEMBL12002746 0.77 PTGDR (0.36) PTGDR2TBXA2RPTGDRCYP2C9PSIP1
SCHEMBL15436288 0.75 PTGDR (0.39) PTGDR2TBXA2RPTGDRCYP2C9
SCHEMBL2189056 0.75 PTGDR2 (0.41) PTGDR2TBXA2RPTGDRPSIP1
SCHEMBL15436284 0.74 CYP2C9 (0.33) PTGDR2TBXA2RPTGDRCYP2C9PSIP1
SCHEMBL2187311 0.71 DRD2 (0.32) PTGDR2TBXA2RPTGDRCYP2C9DRD2
SCHEMBL2188128 0.70 KMT2A (0.41) PTGDR2TBXA2RDRD2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110172263-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK FROSST CANADA LTD (CA) 2011-07-14 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 (1 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-20110172263-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS PTGER2, PTGDR2, PTGDR PTGDR2 2/4885TBXA2R 28/4885PTGDR 3/4885

“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.