Sugi Predict

Sugi Predict / Compounds / SCHEMBL5774960

SCHEMBL5774960

SCHEMBL5774960

CC1(c2cccc3ccccc23)CC(Nc2ccc(F)cc2F)C(=O)O1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ TRPV1 Q8NER1 5/20 0.35
▸ CYP3A4 P08684 2/20 0.34
▸ RAB9A P51151 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ ROCK2 O75116 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
SCHEMBL5774008 0.80 ATM (0.37) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL5777654 0.78 NFKB1 (0.36) ALDH1A1MAPTTRPV1RAB9AMEN1
SCHEMBL5774660 0.76 KDM4E (0.33) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL6153490 0.72 ELANE (0.32) MAPTMEN1KMT2AKDM4E
SCHEMBL6153107 0.72 RAB9A (0.35) ALDH1A1MAPTRAB9AKMT2ANPC1
SCHEMBL6152681 0.72 PDK2 (0.31) MAPTKDM4E
SCHEMBL5777311 0.72 KMT2A (0.36) ALDH1A1MAPTTRPV1RAB9AKMT2A
SCHEMBL5773687 0.69 ALOX15 (0.34) ALDH1A1RAB9ANPC1
SCHEMBL5777514 0.69 KMT2A (0.38) ALDH1A1MAPTTRPV1RAB9AMEN1
SCHEMBL5774998 0.69 HSD11B1 (0.39) ALDH1A1RAB9ANPC1KDM4EROCK2

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 10 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
EP-1406888-B1 SUBSTITUTED Y-LACTONE COMPOUNDS SERVING AS NMDA ANTAGONISTS GRUENENTHAL GMBH (DE) 2006-05-24 — — EP disclosed
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 MAPK14 2244/4885ALDH1A1 3532/4885MAPT 1864/4885

“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.