SCHEMBL4883362

SCHEMBL4883362

COc1ccccc1[C@@](N)(CC(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
CTSD P07339 1/20 0.40
LMNA P02545 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ITGA4 P13612 1/20 0.39
ITGB7 P26010 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
SLC13A5 Q86YT5 1/20 0.37
DRD2 P14416 5/20 0.37
GAA P10253 1/20 0.36
CTNNB1 P35222 1/20 0.36
WNT3A P56704 1/20 0.36
PTGFR P43088 2/20 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
SCHEMBL1147246 0.82 CYP2C19 (0.41) POLBCYP2C19HIF1ALMNAKMT2A
SCHEMBL6464415 0.80 CYP2C19 (0.56) CYP2C19HIF1AKMT2AALDH1A1
SCHEMBL6647551 0.80 CYP2C19 (0.56) CYP2C19HIF1AKMT2AALDH1A1
SCHEMBL27823794 0.80 CYP2C19 (0.56) CYP2C19HIF1AKMT2AALDH1A1
SCHEMBL30040484 0.79 POLB (0.50) POLBSMN1; SMN2CYP2C19HIF1ACTSD
SCHEMBL6892090 0.79 POLB (0.50) POLBSMN1; SMN2CYP2C19HIF1ACTSD
SCHEMBL21656314 0.76 GAA (0.42) POLBSMN1; SMN2CTSDLMNAMEN1
SCHEMBL1147825 0.75 CA1 (0.44) SMN1; SMN2CYP2C19HIF1ALMNAMEN1
SCHEMBL6946381 0.75 CYP2C19 (0.46) SMN1; SMN2CYP2C19HIF1ALMNAKMT2A
SCHEMBL21632008 0.74 CYP2C19 (0.49) POLBSMN1; SMN2CYP2C19HIF1ACTSD

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 2 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
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 POLB 635/4885SMN1; SMN2 3355/4885CYP2C19 905/4885

“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.