SCHEMBL20415684

SCHEMBL20415684

COc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)C#CCCO[Si](C)(C)C(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 1/20 0.46
▸ ITGA2B P08514 1/20 0.46
▸ PPARG P37231 1/20 0.43
▸ PPARA Q07869 1/20 0.43
▸ CTSS P25774 7/20 0.42
▸ CTSK P43235 6/20 0.42
▸ CTSB P07858 2/20 0.41
▸ CTSL P07711 1/20 0.41
▸ CACNA1B Q00975 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ ITGA4 P13612 1/20 0.40
▸ ITGB7 P26010 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.39
▸ PTPN1 P18031 2/20 0.39
▸ BRD4 O60885 1/20 0.38
▸ ACE P12821 1/20 0.38
▸ ABCB1 P08183 1/20 0.38
▸ BCL2 P10415 1/20 0.38

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
SCHEMBL28558406 1.00 ITGB3 (0.46) ITGB3ITGA2BPPARGPPARACTSS
SCHEMBL18262422 0.89 LDHA (0.39) ITGB3ITGA2BCTSLALDH1A1
SCHEMBL18262421 0.89 LDHA (0.39) ITGB3ITGA2BCTSLALDH1A1
SCHEMBL28562309 0.89 ITGB3 (0.44) ITGB3ITGA2BPPARGPPARACTSS
SCHEMBL28558404 0.80 ALDH1A1 (0.36) PPARGPPARAALDH1A1LMNA
SCHEMBL18262546 0.79 LDHA (0.36) ITGB3ITGA2BCTSLALDH1A1
SCHEMBL18262544 0.79 LDHA (0.36) ITGB3ITGA2BCTSLALDH1A1
SCHEMBL18262541 0.79 LDHA (0.36) ITGB3ITGA2BCTSLALDH1A1
SCHEMBL22723020 0.79 LDHA (0.37) PPARGPPARAALDH1A1
SCHEMBL22723021 0.79 LDHA (0.37) PPARGPPARAALDH1A1

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-10858314-B2 Urea derivative or pharmacologically acceptable salt thereof KYORIN PHARMACEUTICAL CO., LTD. (JP) 2020-12-08 — — US disclosed
US-20180208552-A1 UREA DERIVATIVE OR PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KYORIN PHARMACEUTICAL CO., LTD. (JP) 2018-07-26 — — 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 (2 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-10858314-B2 Urea derivative or pharmacologically acceptable salt thereof FPR1, SAAL1, FPR2 ITGB3 3885/4885ITGA2B 3761/4885PPARG 2035/4885
US-20180208552-A1 UREA DERIVATIVE OR PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF FPR1, FPR2, SAAL1 ITGB3 3847/4885ITGA2B 3770/4885PPARG 2050/4885

“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.

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