SCHEMBL13428313

SCHEMBL13428313

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 12/20 0.40
TSHR P16473 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
AAK1 Q2M2I8 1/20 0.38
CHRM5 P08912 1/20 0.36
LPAR1 Q92633 1/20 0.36
LPAR5 Q9H1C0 1/20 0.36
TP53 P04637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL13428384 0.91 ALDH1A1 (0.39) PTGDR2TSHRMEN1KMT2AAAK1
SCHEMBL13428171 0.88 TSHR (0.44) PTGDR2TSHRMEN1KMT2ALPAR1
SCHEMBL16501872 0.84 MEN1 (0.46) PTGDR2TSHRMEN1KMT2ALPAR1
SCHEMBL16496997 0.83 MEN1 (0.39) PTGDR2TSHRMEN1KMT2ACHRM5
SCHEMBL1922570 0.82 PTGDR2 (0.42) PTGDR2TSHRMEN1KMT2ALPAR1
SCHEMBL1922879 0.81 PTGDR2 (0.43) PTGDR2MEN1KMT2AKDM4E
SCHEMBL1922921 0.80 MEN1 (0.43) PTGDR2TSHRMEN1KMT2A
SCHEMBL1922427 0.80 PTGDR2 (0.53) PTGDR2
SCHEMBL1922579 0.80 PTGDR2 (0.42) PTGDR2TSHRMEN1KMT2ALPAR1
SCHEMBL3366312 0.79 TSHR (0.43) PTGDR2TSHRMEN1KMT2ALPAR1

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 PTGDR2 2/4885TSHR 613/4885MEN1 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.