SCHEMBL4883355

SCHEMBL4883355

COc1ccccc1[C@H](CC(=O)O)NC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSA P10619 15/20 0.51
POLB P06746 1/20 0.46
CACNA1B Q00975 1/20 0.45

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
SCHEMBL27603568 1.00 CTSA (0.51) CTSAPOLBCACNA1B
SCHEMBL3447780 0.90 CACNA1B (0.47) CTSAPOLBCACNA1B
SCHEMBL14044920 0.86 CTSS (0.45) POLBCACNA1B
SCHEMBL1738732 0.86 CTSS (0.45) POLBCACNA1B
SCHEMBL29582289 0.86 CTSS (0.45) POLBCACNA1B
SCHEMBL19744367 0.85 CTSA (0.55) CTSA
SCHEMBL22805380 0.85 CTSS (0.44) CACNA1B
SCHEMBL31757886 0.85 CTSS (0.44) CTSA
SCHEMBL19744371 0.85 CTSA (0.55) CTSA
SCHEMBL31757758 0.85 CTSA (0.55) CTSA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080262005-A1 Uracil-Type Gonadotropin-Releasing Hormone Receptor Antagonists and Methods Related Thereto NEUROCRINE BIOSCIENCES, INC. (US) 2008-10-23 US disclosed
US-20080262005-A1 Uracil-Type Gonadotropin-Releasing Hormone Receptor Antagonists and Methods Related Thereto NEUROCRINE BIOSCIENCES, INC. (US) 2008-10-23 US disclosed
WO-2005113516-A1 URACIL-TYPE GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATED THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2005-12-01 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-20080262005-A1 Uracil-Type Gonadotropin-Releasing Hormone Receptor Antagonists and Methods Related Thereto GNRHR, FSHR, GHRHR CTSA 1670/4885POLB 635/4885CACNA1B 3235/4885

“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.