SCHEMBL13428171

SCHEMBL13428171

CC(=O)NCc1ccc(-c2cncc(CC(=O)O)c2)c(CN(Cc2ccccc2)C(=O)C2CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
PTGDR2 Q9Y5Y4 11/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KCNH2 Q12809 2/20 0.38
LPAR1 Q92633 1/20 0.37
LPAR5 Q9H1C0 1/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 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
SCHEMBL3366312 0.90 TSHR (0.43) TSHRPTGDR2MEN1KMT2AKCNH2
SCHEMBL13428313 0.88 PTGDR2 (0.40) TSHRPTGDR2MEN1KMT2ALPAR1
SCHEMBL1922879 0.86 PTGDR2 (0.43) PTGDR2MEN1KMT2AKCNH2ALDH1A1
SCHEMBL16501872 0.86 MEN1 (0.46) TSHRPTGDR2MEN1KMT2ALPAR1
SCHEMBL1922570 0.83 PTGDR2 (0.42) TSHRPTGDR2MEN1KMT2ALPAR1
SCHEMBL1922921 0.81 MEN1 (0.43) TSHRPTGDR2MEN1KMT2AALDH1A1
SCHEMBL1922427 0.81 PTGDR2 (0.53) PTGDR2
SCHEMBL1922579 0.81 PTGDR2 (0.42) TSHRPTGDR2MEN1KMT2ALPAR1
SCHEMBL13428384 0.79 ALDH1A1 (0.39) TSHRPTGDR2MEN1KMT2ALPAR1
SCHEMBL16496997 0.79 MEN1 (0.39) TSHRPTGDR2MEN1KMT2A

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
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 TSHR 613/4885PTGDR2 2/4885MEN1 4828/4885

“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.