SCHEMBL137192

SCHEMBL137192

CCNCc1cc(C)ccc1-c1cccc(CC(=O)OC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.40
DHODH Q02127 1/20 0.38
FFAR1 O14842 4/20 0.38
CFD P00746 1/20 0.38
SYK P43405 1/20 0.37
HPGD P15428 3/20 0.37
MAPT P10636 2/20 0.37
TSHR P16473 1/20 0.37
ICMT O60725 1/20 0.37
PDK2 Q15119 1/20 0.37
NPC1 O15118 1/20 0.37
PKM P14618 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TLR7 Q9NYK1 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 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
SCHEMBL137139 0.92 PPID (0.40) FFAR1MAPTNPC1PKMNFKB1
SCHEMBL134922 0.88 PTPN11 (0.43) FFAR1PTPN11
SCHEMBL139876 0.84 PTGDR2 (0.49) SYKPDK2ALDH1A1
SCHEMBL16501847 0.84 CYP11B1 (0.47) HPGDMAPTNPC1ALDH1A1KDM4E
SCHEMBL137987 0.84 HSP90AB1 (0.36) DHODHFFAR1HPGDMAPTPDK2
SCHEMBL136530 0.84 HSP90AB1 (0.36) FFAR1HPGDMAPTSMN1; SMN2ALDH1A1
SCHEMBL137643 0.81 CETP (0.40) PDK2
SCHEMBL134609 0.81 PTGDR2 (0.47) TLR7GAARECQL
SCHEMBL136787 0.81 PDK2 (0.38) HPGDMAPTTSHRPDK2TLR7
SCHEMBL137683 0.80 SLC7A5 (0.42) SLC7A5DHODHFFAR1CFDSYK

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-20130158036-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PANMIRA PHARMACEUTICALS, LLC (US) 2013-06-20 US disclosed
US-8362044-B2 N,N-disubstituted aminoalkylbiphenyl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-01-29 US disclosed
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PANMIRA PHARMACEUTICALS, LLC. (US) 2012-03-08 US disclosed
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-02-17 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 (3 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-20130158036-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 SLC7A5 3077/4885DHODH 2755/4885FFAR1 113/4885
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 SLC7A5 3077/4885DHODH 2755/4885FFAR1 113/4885
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 SLC7A5 3077/4885DHODH 2755/4885FFAR1 113/4885

“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.