SCHEMBL5567321

SCHEMBL5567321

C=CCCC#Cc1csc(C)n1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 19/20 0.46
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL15483095 0.74 GRM5 (0.53) GRM5CYP1A2CYP2D6
SCHEMBL102265 0.72 GRM5 (0.60) GRM5CYP1A2CYP2D6
SCHEMBL14599876 0.71 GRM5 (0.46) GRM5CYP1A2CYP2D6
SCHEMBL102176 0.68 GRM5 (0.49) GRM5CYP1A2CYP2D6
SCHEMBL28749297 0.67
SCHEMBL14629798 0.67 PKM (0.43)
SCHEMBL22894216 0.67 GRM5 (0.51) GRM5CYP1A2CYP2D6
SCHEMBL103069 0.65 HPGD (0.46) GRM5
SCHEMBL22692446 0.65 HIF1A (0.34)
SCHEMBL102610 0.65 NPC1 (0.50) GRM5CYP1A2CYP2D6

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-7157595-B2 Degradation of epothilones HELMHOLTZ-ZENTRUM FUR INFEKTIONSFORSCHUNG GMBH (DE) 2007-01-02 US disclosed
EP-1564217-B1 Process for the production of epothilones BIOTECHNOLOG FORSCHUNG GMBH (DE) 2006-08-09 EP disclosed
EP-1564217-A2 Process for the production of epothilones Gesellschaft für biotechnologische Forschung mbH (GBF) (DE) 2005-08-17 EP disclosed
US-20040092560-A1 Degradation of epothilones HELMHOLTZ-ZENTRUM FUR INFEKTIONSFORSCHUNG GMBH (DE) 2004-05-13 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 (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-20040092560-A1 Degradation of epothilones DHPS, OTUB1, FTO GRM5 3749/4885CYP1A2 83/4885CYP2D6 109/4885

“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.