Sugi Predict

Sugi Predict / Compounds / SCHEMBL137267

SCHEMBL137267

SCHEMBL137267

COC(=O)Cc1ccc(F)c(-c2ccc(C)cc2CNCC(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.41
▸ PTGDR2 Q9Y5Y4 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ ABL1 P00519 1/20 0.33
▸ RIN1 Q13671 1/20 0.33
▸ CYP4F2 P78329 1/20 0.33
▸ CYP4A11 Q02928 1/20 0.33
▸ TLR7 Q9NYK1 2/20 0.33
▸ CHEK1 O14757 1/20 0.33
▸ CETP P11597 1/20 0.33
▸ SLC9A1 P19634 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PTGES O14684 1/20 0.33
▸ TBXA2R P21731 1/20 0.32
▸ PTGDR Q13258 1/20 0.32

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
SCHEMBL138010 0.88 PTGDR2 (0.51) PDK2PTGDR2LMNACETPTBXA2R
SCHEMBL135769 0.88 PTGDR2 (0.51) PDK2PTGDR2GAAABL1RIN1
SCHEMBL136787 0.88 PDK2 (0.38) PDK2PTGDR2ALDH1A1GAAGFER
SCHEMBL137041 0.85 PDK2 (0.40) PDK2ALDH1A1GAAGFERLMNA
SCHEMBL137654 0.82 PTGDR2 (0.49) PTGDR2ABL1RIN1CETPTBXA2R
SCHEMBL136792 0.81 PDK2 (0.39) PDK2PTGDR2ALDH1A1GAAGFER
SCHEMBL136041 0.80 PTGDR2 (0.60) PTGDR2CETPTBXA2RPTGDR
SCHEMBL136785 0.79 PTGDR2 (0.47) PTGDR2GAAABL1RIN1CETP
SCHEMBL136515 0.79 PTGDR2 (0.52) PDK2PTGDR2CETPTBXA2RPTGDR
SCHEMBL137399 0.78 SRC (0.41) PDK2ALDH1A1GAAGFERLMNA

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 PDK2 1107/4885PTGDR2 2/4885ALDH1A1 2005/4885
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PDK2 1107/4885PTGDR2 2/4885ALDH1A1 2005/4885
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PDK2 1107/4885PTGDR2 2/4885ALDH1A1 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.