Sugi Predict

Sugi Predict / Compounds / SCHEMBL137683

SCHEMBL137683

SCHEMBL137683

COC(=O)Cc1cccc(-c2ccc(C)cc2C=O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 1/20 0.42
▸ SRC P12931 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ FFAR1 O14842 4/20 0.39
▸ SYK P43405 1/20 0.39
▸ ERN1 O75460 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ PDK2 Q15119 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ GAA P10253 1/20 0.38

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
SCHEMBL138617 0.83 SYK (0.45) SLC7A5ALDH1A1MAPTMEN1KMT2A
SCHEMBL16501860 0.83 CYP11B1 (0.50) SRCALDH1A1KDM4ENPC1HSP90AB1
SCHEMBL9208403 0.82 HPGD (0.50) SLC7A5ALDH1A1MAPTKDM4EMEN1
SCHEMBL137192 0.80 SLC7A5 (0.40) SLC7A5ALDH1A1MAPTKDM4EFFAR1
SCHEMBL137399 0.79 SRC (0.41) SLC7A5SRCALDH1A1MAPTMEN1
SCHEMBL134607 0.79 ABL1 (0.47) SRCALDH1A1MAPTERN1HPGD
SCHEMBL28988466 0.76 MAOB (0.44) SRCALDH1A1MAPTKDM4EERN1
SCHEMBL1107144 0.76 SLC7A5 (0.56) SLC7A5ALDH1A1MAPTHPGDNPC1
SCHEMBL30405426 0.76 MAOB (0.44) SRCALDH1A1MAPTKDM4EERN1
SCHEMBL1798827 0.76 SLC7A5 (0.51) SLC7A5ALDH1A1MAPTKDM4EMEN1

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 3077/4885SRC 4380/4885ALDH1A1 2005/4885
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 SLC7A5 3077/4885SRC 4380/4885ALDH1A1 2005/4885
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 SLC7A5 3077/4885SRC 4380/4885ALDH1A1 2005/4885

“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.