Sugi Predict

Sugi Predict / Compounds / SCHEMBL136484

SCHEMBL136484

SCHEMBL136484

CCOC(=O)Cc1cc(F)cc(OS(C)(=O)=O)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.39
▸ PPARG P37231 3/20 0.39
▸ PPARA Q07869 3/20 0.39
▸ CYP4F2 P78329 1/20 0.39
▸ CYP4A11 Q02928 1/20 0.39
▸ PTGS2 P35354 2/20 0.36
▸ F10 P00742 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ GAA P10253 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ CYP4Z1 Q86W10 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
SCHEMBL152873 0.86 MAOB (0.38) MAOBCYP4F2CYP4A11PTGS2F10
SCHEMBL135154 0.83 MAPT (0.41) MAOBKDM4EALDH1A1LMNATSHR
SCHEMBL136465 0.83 RXRA (0.39) PPARGPPARAALDH1A1LMNASMN1; SMN2
SCHEMBL2381215 0.82 MAOB (0.44) MAOBCYP4F2CYP4A11ALDH1A1LMNA
SCHEMBL2905044 0.77 SMN1; SMN2 (0.38) MAOBPPARGCYP4F2CYP4A11F10
SCHEMBL136475 0.76 HSP90AB1 (0.51) MAOBKDM4EALDH1A1LMNAHSD17B10
SCHEMBL30739013 0.75 MAOB (0.40) MAOBALDH1A1LMNAMEN1KMT2A
SCHEMBL1500686 0.75 MAOB (0.40) MAOBALDH1A1LMNAMEN1KMT2A
SCHEMBL136471 0.75 MAOB (0.54) MAOBALDH1A1LMNAMEN1KMT2A
SCHEMBL5907225 0.73 GAA (0.45) MAOBKDM4EALDH1A1LMNAHSD17B10

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 MAOB 1134/4885PPARG 31/4885PPARA 110/4885
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 MAOB 1134/4885PPARG 31/4885PPARA 110/4885
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 MAOB 1134/4885PPARG 31/4885PPARA 110/4885

“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.