Sugi Predict

Sugi Predict / Compounds / SCHEMBL138045

SCHEMBL138045

SCHEMBL138045

CCN(Cc1cc(C)ccc1-c1cc(C(C)C(=O)O)cc(C(F)(F)F)c1)C(C)=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 11/20 0.46
▸ AKR1C2 P52895 11/20 0.46
▸ GPBAR1 Q8TDU6 2/20 0.41
▸ PTGDR2 Q9Y5Y4 2/20 0.39
▸ PSEN1 P49768 1/20 0.39
▸ PSEN2 P49810 1/20 0.39
▸ APH1B Q8WW43 1/20 0.39
▸ NCSTN Q92542 1/20 0.39
▸ APH1A Q96BI3 1/20 0.39
▸ PSENEN Q9NZ42 1/20 0.39
▸ CTSA P10619 1/20 0.39
▸ PTGS2 P35354 1/20 0.38
▸ CETP P11597 2/20 0.37

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
SCHEMBL154195 0.92 AKR1C3 (0.47) AKR1C3AKR1C2GPBAR1PTGDR2PSEN1
SCHEMBL136568 0.90 CETP (0.40) AKR1C3AKR1C2GPBAR1PTGDR2CTSA
SCHEMBL13746076 0.88 PTGDR2 (0.44) AKR1C3AKR1C2GPBAR1PTGDR2PSEN1
SCHEMBL135277 0.88 PTGDR2 (0.51) AKR1C3AKR1C2PTGDR2
SCHEMBL137540 0.88 PTGDR2 (0.51) AKR1C3AKR1C2PTGDR2
SCHEMBL136570 0.88 PTGDR2 (0.51) AKR1C3AKR1C2PTGDR2
SCHEMBL137381 0.85 PTGDR2 (0.50) AKR1C3AKR1C2GPBAR1PTGDR2CETP
SCHEMBL137079 0.85 PTGDR2 (0.50) AKR1C3AKR1C2GPBAR1PTGDR2CETP
SCHEMBL137524 0.85 APP (0.45) AKR1C3AKR1C2PSEN1PSEN2APH1B
SCHEMBL153591 0.83 PTGDR2 (0.42) AKR1C3AKR1C2GPBAR1PTGDR2CETP

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 AKR1C3 1005/4885AKR1C2 1034/4885GPBAR1 45/4885
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 AKR1C3 1005/4885AKR1C2 1034/4885GPBAR1 45/4885
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 AKR1C3 1005/4885AKR1C2 1034/4885GPBAR1 45/4885

“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.