Sugi Predict

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SCHEMBL5777654

SCHEMBL5777654

CC1(c2cccc3ccccc23)CC(Nc2cc(Cl)cc(Cl)c2)C(=O)O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 2/20 0.36
▸ NFKB2 Q00653 2/20 0.36
▸ RELA Q04206 2/20 0.36
▸ KDM4E B2RXH2 4/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ CDK5 Q00535 1/20 0.33
▸ CDK5R1 Q15078 1/20 0.33
▸ NCOA1 Q15788 1/20 0.33
▸ NCOA3 Q9Y6Q9 1/20 0.33
▸ FADS1 O60427 1/20 0.33
▸ KMT2A Q03164 3/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ TRPV1 Q8NER1 1/20 0.31
▸ CYP1A1 P04798 1/20 0.31

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
SCHEMBL5776263 0.86 GRIN1 (0.33) KDM4ESMN1; SMN2ALDH1A1KMT2ATRPV1
SCHEMBL5774660 0.83 KDM4E (0.33) KDM4ESMN1; SMN2CYP1A2ALDH1A1HPGD
SCHEMBL5774608 0.82 STK10 (0.39) ALDH1A1HPGDKMT2ANPSR1
SCHEMBL5777138 0.81 HSD11B1 (0.39) ALDH1A1HTTKMT2ARAB9AMEN1
SCHEMBL5774960 0.78 MAPK14 (0.39) KDM4EALDH1A1KMT2ANPC1RAB9A
SCHEMBL5775190 0.77 GSK3B (0.35) SLC6A2
SCHEMBL5774008 0.77 ATM (0.37) NFKB1NFKB2RELAKDM4ESMN1; SMN2
SCHEMBL5774061 0.75 GRIN2B (0.41) SMN1; SMN2ALDH1A1KMT2AMEN1MAPK1
SCHEMBL6153107 0.74 RAB9A (0.35) KDM4ESMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL6153490 0.74 ELANE (0.32) KDM4ESMN1; SMN2KMT2AMEN1MAPT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1406888-B1 SUBSTITUTED Y-LACTONE COMPOUNDS SERVING AS NMDA ANTAGONISTS GRUENENTHAL GMBH (DE) 2006-05-24 — — EP claimed
US-6956055-B2 Substituted γ-lactone compounds as NMDA-antagonists GRUNENTHAL GMBH (DE) 2005-10-18 — — US claimed
US-20040171677-A1 Substituted gamma-lactone compounds as NMDA-antagonists GRUNENTHAL GMBH (DE) 2004-09-02 — — US claimed
EP-1406888-A1 SUBSTITUTED $G(G)-LACTONE COMPOUNDS SERVING AS NMDA ANTAGONISTS Grünenthal GmbH (DE) 2004-04-14 — — EP claimed
WO-2003004483-A1 SUBSTITUTED $G(G)-LACTONE COMPOUNDS SERVING AS NMDA ANTAGONISTS Grünenthal GmbH (DE) 2003-01-16 — — WO claimed
US-6956055-B2 Substituted γ-lactone compounds as NMDA-antagonists GRUNENTHAL GMBH (DE) 2005-10-18 — — US disclosed
US-20040171677-A1 Substituted gamma-lactone compounds as NMDA-antagonists GRUNENTHAL GMBH (DE) 2004-09-02 — — US disclosed
EP-1406888-A1 SUBSTITUTED $G(G)-LACTONE COMPOUNDS SERVING AS NMDA ANTAGONISTS Grünenthal GmbH (DE) 2004-04-14 — — EP disclosed
WO-2003004483-A1 SUBSTITUTED $G(G)-LACTONE COMPOUNDS SERVING AS NMDA ANTAGONISTS Grünenthal GmbH (DE) 2003-01-16 — — WO 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 (1 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-20040171677-A1 Substituted gamma-lactone compounds as NMDA-antagonists GRIN1, GRIN3A, GRIK5 NFKB1 1056/4885NFKB2 1441/4885RELA 783/4885

“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.