SCHEMBL3366526

SCHEMBL3366526

CCC(NC(=O)NCc1ccccc1)c1cc(C(F)(F)F)ccc1-c1cccc(CC(=O)O)n1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSA P10619 7/20 0.41
TRPV3 Q8NET8 2/20 0.40
PTGDR2 Q9Y5Y4 3/20 0.40
MCHR1 Q99705 1/20 0.37
CNR2 P34972 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL3364260 0.92 PTGDR2 (0.40) CTSAPTGDR2MCHR1CNR2ALDH1A1
SCHEMBL3365393 0.91 PPID (0.42) CTSATRPV3PTGDR2MCHR1LMNA
SCHEMBL3368281 0.84 PTGDR2 (0.43) PTGDR2LMNA
SCHEMBL3367898 0.83 PPID (0.42) CTSAPTGDR2MCHR1LMNA
SCHEMBL153051 0.81 PTGDR2 (0.43) PTGDR2ALDH1A1
SCHEMBL1922881 0.81 PTGDR2 (0.41) CTSAPTGDR2
SCHEMBL140541 0.81 PTGDR2 (0.48) PTGDR2ALDH1A1
SCHEMBL156551 0.80 PTGDR2 (0.42) PTGDR2ALDH1A1
SCHEMBL153692 0.79 PTGDR2 (0.41) PTGDR2
SCHEMBL138451 0.79 PTGDR2 (0.62) PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-22 US claimed
WO-2010037059-A2 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-04-01 WO claimed
US-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-22 US disclosed
WO-2010037059-A2 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-04-01 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 (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-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 CTSA 1886/4885TRPV3 459/4885PTGDR2 2/4885

“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.