Sugi Predict

Sugi Predict / Compounds / SCHEMBL137987

SCHEMBL137987

SCHEMBL137987

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

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HSP90AB1 P08238 1/20 0.36
▸ KMT2A Q03164 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ PDK2 Q15119 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ FFAR1 O14842 3/20 0.32
▸ FFAR4 Q5NUL3 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ GFER P55789 1/20 0.32
▸ CYP4F2 P78329 1/20 0.32
▸ CYP4A11 Q02928 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ DHODH Q02127 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
SCHEMBL138141 0.89 PTGDR2 (0.37) MAPTALDH1A1KDM4EHPGDTDP1
SCHEMBL136530 0.87 HSP90AB1 (0.36) HSP90AB1KMT2AMAPTALDH1A1KDM4E
SCHEMBL154973 0.86 PTGDR2 (0.42) PDK2LMNA
SCHEMBL137643 0.86 CETP (0.40) HSP90AB1PDK2LMNA
SCHEMBL137192 0.84 SLC7A5 (0.40) MAPTALDH1A1KDM4EHPGDTDP1
SCHEMBL16501847 0.82 CYP11B1 (0.47) MAPTALDH1A1KDM4EHPGDTDP1
SCHEMBL136787 0.81 PDK2 (0.38) HSP90AB1KMT2AMAPTALDH1A1KDM4E
SCHEMBL137672 0.79 MAPT (0.41) KMT2AMAPTALDH1A1KDM4EHPGD
SCHEMBL137479 0.78 PTGDR2 (0.48) KMT2AMAPTALDH1A1KDM4EHPGD
SCHEMBL154650 0.77 PTGDR2 (0.43) PDK2LMNA

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 2237/4885KMT2A 4559/4885MAPT 4866/4885
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 HSP90AB1 2237/4885KMT2A 4559/4885MAPT 4866/4885
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 HSP90AB1 2237/4885KMT2A 4559/4885MAPT 4866/4885

“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.