Sugi Predict

Sugi Predict / Compounds / SCHEMBL136465

SCHEMBL136465

SCHEMBL136465

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 2/20 0.39
▸ RXRB P28702 2/20 0.39
▸ RXRG P48443 2/20 0.39
▸ POLB P06746 3/20 0.38
▸ GPR35 Q9HC97 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ DHFR P00374 1/20 0.36
▸ IDH1 O75874 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ PPARG P37231 1/20 0.35
▸ PPARD Q03181 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ TACR1 P25103 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ THRB P10828 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
SCHEMBL151616 0.90 RXRA (0.42) RXRARXRBRXRGPOLBGPR35
SCHEMBL136917 0.87 HSP90AB1 (0.43) RXRARXRBRXRGIDH1HTT
SCHEMBL20349610 0.84 RXRA (0.50) RXRARXRBRXRGGPR35L3MBTL1
SCHEMBL704360 0.83 TACR1 (0.46) RXRARXRBRXRGPOLBGPR35
SCHEMBL136484 0.83 MAOB (0.39) ALDH1A1PPARGPPARALMNASMN1; SMN2
SCHEMBL135154 0.80 MAPT (0.41) POLBHTTALDH1A1LMNAMAPT
SCHEMBL2905044 0.80 SMN1; SMN2 (0.38) POLBL3MBTL1ALDH1A1PPARGLMNA
SCHEMBL24650659 0.79 GPR35 (0.43) RXRARXRBRXRGPOLBGPR35
SCHEMBL137510 0.78 HSP90AB1 (0.47) RXRARXRBRXRGPOLBGPR35
SCHEMBL15462948 0.78 IDO1 (0.40) RXRARXRBRXRGIDH1ALDH1A1

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 RXRA 767/4885RXRB 492/4885RXRG 403/4885
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 RXRA 767/4885RXRB 492/4885RXRG 403/4885
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 RXRA 767/4885RXRB 492/4885RXRG 403/4885

“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.