Sugi Predict

Sugi Predict / Compounds / SCHEMBL137666

SCHEMBL137666

SCHEMBL137666

CCOC(=O)Cc1cc(Cl)cc(-c2ccc(C)cc2C=O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ CYP4Z1 Q86W10 1/20 0.38
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ FPR1 P21462 1/20 0.36
▸ NLRP3 Q96P20 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ GAA P10253 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35

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
SCHEMBL137209 0.90 MAPT (0.38) MAPTCYP4Z1MEN1KMT2AKDM4E
SCHEMBL150619 0.86 DHFR (0.39) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL16501927 0.81 SRC (0.39) SRCMAPTCYP4Z1ALDH1A1NPC1
SCHEMBL137672 0.81 MAPT (0.41) MAPTCYP4Z1MEN1KMT2AKDM4E
SCHEMBL12900596 0.77 SRC (0.42) SRCMAPTCYP4Z1MEN1KMT2A
SCHEMBL138021 0.77 MAPT (0.35) MAPTCYP4Z1MEN1KMT2AKDM4E
SCHEMBL16501850 0.76 SRC (0.40) SRCMAPTMEN1KMT2AKDM4E
SCHEMBL6367851 0.75 MAPT (0.51) MAPTCYP4Z1MEN1KMT2AKDM4E
SCHEMBL136891 0.74 ABL1 (0.46) SRCLMNAALDH1A1GAAL3MBTL1
SCHEMBL6372557 0.74 MAPT (0.48) MAPTCYP4Z1MEN1KMT2AKDM4E

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 SRC 4380/4885MAPT 4866/4885CYP4Z1 2499/4885
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 SRC 4380/4885MAPT 4866/4885CYP4Z1 2499/4885
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 SRC 4380/4885MAPT 4866/4885CYP4Z1 2499/4885

“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.