SCHEMBL12415701

SCHEMBL12415701

[2H]C([2H])([2H])N(c1nc(Cc2ccc(NC(=O)c3ccc(C)cc3)cc2)nc(N(C)C)c1CC(=O)O)C([2H])([2H])[2H]

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 12/20 0.72
TBXA2R P21731 1/20 0.72
PTGDR Q13258 1/20 0.72
MEN1 O00255 1/20 0.43
FFAR1 O14842 1/20 0.43
TP53 P04637 1/20 0.43
GLA P06280 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
NR1H4 Q96RI1 2/20 0.42
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
CTNNB1 P35222 2/20 0.40
TCF7L2 Q9NQB0 2/20 0.40

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
SCHEMBL12415704 0.98 PTGDR2 (0.72) PTGDR2TBXA2RPTGDRMEN1FFAR1
SCHEMBL12415798 0.98 PTGDR2 (0.69) PTGDR2TBXA2RPTGDRMEN1FFAR1
SCHEMBL12415712 0.95 PTGDR2 (0.79) PTGDR2TBXA2RPTGDRMEN1FFAR1
SCHEMBL12415711 0.95 PTGDR2 (0.79) PTGDR2TBXA2RPTGDRMEN1FFAR1
SCHEMBL12415714 0.95 PTGDR2 (0.79) PTGDR2TBXA2RPTGDRMEN1FFAR1
SCHEMBL12415725 0.95 PTGDR2 (0.79) PTGDR2TBXA2RPTGDRMEN1FFAR1
SCHEMBL12415718 0.95 PTGDR2 (0.79) PTGDR2TBXA2RPTGDRMEN1FFAR1
SCHEMBL12415717 0.95 PTGDR2 (0.79) PTGDR2TBXA2RPTGDRMEN1FFAR1
SCHEMBL10024778 0.95 PTGDR2 (0.79) PTGDR2TBXA2RPTGDRMEN1FFAR1
SCHEMBL12415729 0.95 PTGDR2 (0.79) PTGDR2TBXA2RPTGDRMEN1FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541419-B2 Isotopically enriched pyrimidin-5-yl acetic acid derivatives as CRTH2 antagonists ACTIMIS PHARMACEUTICALS, INC. (US) 2013-09-24 US disclosed
US-20110172250-A1 ISOTOPICALLY ENRICHED PYRIMIDIN-5-YL ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS GB005, INC. 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-20110172250-A1 ISOTOPICALLY ENRICHED PYRIMIDIN-5-YL ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS HRH2, HRH1, HRH4 PTGDR2 87/4885TBXA2R 115/4885PTGDR 151/4885

“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.