SCHEMBL4883371

SCHEMBL4883371

COc1ccccc1C(N)[C@@H](C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 1/20 0.45
ITGB7 P26010 1/20 0.45
KMT2A Q03164 1/20 0.42
POLB P06746 2/20 0.41
HTT P42858 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA12 O43570 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL27677786 0.84 SLC7A5 (0.36) ITGA4ITGB7KMT2AL3MBTL1LMNA
SCHEMBL27829292 0.84 SLC7A5 (0.36) ITGA4ITGB7KMT2AL3MBTL1LMNA
SCHEMBL1147247 0.83 CASP1 (0.38) KMT2AL3MBTL1IDO1TDO2LMNA
SCHEMBL27829333 0.83 HTT (0.37) ITGA4ITGB7KMT2APOLBHTT
SCHEMBL27477423 0.83 IDO1 (0.39) KMT2AIDO1TDO2SLC7A5
SCHEMBL27506659 0.83 IDO1 (0.39) KMT2AIDO1TDO2SLC7A5
SCHEMBL27584351 0.82 AOC3 (0.40) ITGA4ITGB7POLBKDM4EACHE
SCHEMBL9451398 0.81 PPARG (0.45) ITGA4ITGB7MTNR1AMTNR1B
SCHEMBL27487741 0.81 ALDH1A1 (0.41) KMT2AHTTKDM4ESLC7A5KIF11
SCHEMBL27677762 0.81 LMNA (0.40) POLBIDO1TDO2SMN1; SMN2LMNA

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 ITGA4 4638/4885ITGB7 4240/4885KMT2A 2416/4885

“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.