SCHEMBL13428453

SCHEMBL13428453

CC(=O)N(CCc1ccccc1)Cc1cc(C(F)(F)F)ccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.45
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP3A4 P08684 3/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.39
MGLL Q99685 1/20 0.38
TBXA2R P21731 2/20 0.37
PTGDR Q13258 2/20 0.37
F2 P00734 1/20 0.37
F11 P03951 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
CYSLTR2 Q9NS75 1/20 0.37

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
SCHEMBL1922337 0.91 GPBAR1 (0.45) PTGDR2CYP3A4CYP2D6CYP2C9GPBAR1
SCHEMBL3398318 0.88 PTGDR2 (0.46) PTGDR2MEN1KMT2AKDM4E
SCHEMBL16501886 0.85 KMT2A (0.45) MEN1KMT2ACYP3A4CYP2D6CYP2C9
SCHEMBL154820 0.84 PTGDR2 (0.45) PTGDR2CYP3A4CYP2C9TBXA2RPTGDR
SCHEMBL13427905 0.81 PTGDR2 (0.51) PTGDR2MEN1KMT2ACYP3A4CYP2D6
SCHEMBL1921901 0.80 PTGDR2 (0.47) PTGDR2MEN1KMT2A
SCHEMBL17387585 0.80 PTGDR2 (0.40) PTGDR2CYP3A4CYP2C9TBXA2RPTGDR
SCHEMBL135406 0.80 PTGDR2 (0.57) PTGDR2CYP3A4CYP2C9TBXA2RPTGDR
SCHEMBL151700 0.80 PTGDR2 (0.56) PTGDR2MEN1KMT2ACYP3A4CYP2C9
SCHEMBL153236 0.80 HDAC1 (0.41) PTGDR2CYP3A4CYP2C9ALDH1A1GPBAR1

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 3 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 disclosed
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 PTGDR2 2/4885MEN1 4828/4885KMT2A 4142/4885

“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.