Sugi Predict

Sugi Predict / Compounds / SCHEMBL138141

SCHEMBL138141

SCHEMBL138141

CCNCc1cc(C)ccc1-c1cc(F)cc(CC(=O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 1/20 0.37
▸ SRC P12931 1/20 0.36
▸ PTGS2 P35354 4/20 0.36
▸ RXRA P19793 1/20 0.36
▸ RXRB P28702 1/20 0.36
▸ RXRG P48443 1/20 0.36
▸ PPARG P37231 2/20 0.35
▸ ABCB11 O95342 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ NR1I3 Q14994 1/20 0.35
▸ FFAR1 O14842 3/20 0.35
▸ FFAR4 Q5NUL3 2/20 0.35
▸ CTSA P10619 1/20 0.35
▸ NR3C1 P04150 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ AKR1C3 P42330 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
SCHEMBL137987 0.89 HSP90AB1 (0.36) FFAR1FFAR4KDM4EALDH1A1MAPT
SCHEMBL137634 0.86 PTGS2 (0.44) PTGDR2SRCPTGS2PPARGABCB11
SCHEMBL152827 0.85 PTGDR2 (0.48) PTGDR2RXRARXRBRXRG
SCHEMBL135225 0.85 RXRA (0.46) PTGDR2RXRARXRBRXRGAKR1C3
SCHEMBL134922 0.83 PTPN11 (0.43) PTGS2FFAR1FFAR4PTGER2
SCHEMBL16501987 0.81 CYP11B1 (0.42) SRCPTGS2FFAR1CTSAKDM4E
SCHEMBL135224 0.78 PTGDR2 (0.52) PTGDR2NR3C1KDM4EALDH1A1MAPT
SCHEMBL156575 0.76 PTGDR2 (0.49) PTGDR2RXRARXRBRXRG
SCHEMBL136530 0.75 HSP90AB1 (0.36) PTGS2FFAR1FFAR4KDM4EALDH1A1
SCHEMBL137643 0.75 CETP (0.40) PTGDR2RXRARXRBRXRGCTSA

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 PTGDR2 2/4885SRC 4380/4885PTGS2 11/4885
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885SRC 4380/4885PTGS2 11/4885
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885SRC 4380/4885PTGS2 11/4885

“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.