Sugi Predict

Sugi Predict / Compounds / SCHEMBL136917

SCHEMBL136917

SCHEMBL136917

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AB1 P08238 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ RXRA P19793 2/20 0.40
▸ RXRB P28702 2/20 0.40
▸ RXRG P48443 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ IDH1 O75874 2/20 0.37
▸ BMP1 P13497 1/20 0.36
▸ PDK2 Q15119 1/20 0.36
▸ TACR1 P25103 1/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ CYP4F2 P78329 1/20 0.35
▸ CYP4A11 Q02928 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ GFER P55789 1/20 0.35
▸ NOTUM Q6P988 1/20 0.35
▸ CYP2D6 P10635 1/20 0.34

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
SCHEMBL154477 0.89 HSP90AB1 (0.43) HSP90AB1LMNARXRARXRBRXRG
SCHEMBL136465 0.87 RXRA (0.39) LMNARXRARXRBRXRGMAPT
SCHEMBL1296063 0.82 HSP90AB1 (0.56) HSP90AB1LMNARXRARXRBRXRG
SCHEMBL15462948 0.80 IDO1 (0.40) RXRARXRBRXRGIDH1TACR1
SCHEMBL491756 0.79 HSP90AB1 (0.49) HSP90AB1LMNAKDM4EMAPTPDK2
SCHEMBL5749601 0.79 HSP90AB1 (0.49) HSP90AB1LMNARXRARXRBRXRG
SCHEMBL15898892 0.78 HSP90AB1 (0.43) HSP90AB1LMNARXRARXRBRXRG
SCHEMBL15898889 0.77 HSP90AB1 (0.42) HSP90AB1LMNARXRARXRBRXRG
SCHEMBL15453841 0.77 CA2 (0.41) LMNAKDM4EMAPTIDH1ALDH1A1
SCHEMBL1295226 0.77 HSP90AB1 (0.50) HSP90AB1LMNARXRARXRBRXRG

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 HSP90AB1 2237/4885LMNA 1875/4885RXRA 767/4885
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 HSP90AB1 2237/4885LMNA 1875/4885RXRA 767/4885
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 HSP90AB1 2237/4885LMNA 1875/4885RXRA 767/4885

“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.