SCHEMBL21582596

SCHEMBL21582596

COc1ccc(CNC(=O)[C@H](CCc2ccccc2)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 7/20 0.68
▸ CTSS P25774 7/20 0.68
▸ ALDH1A1 P00352 4/20 0.53
▸ CTSB P07858 3/20 0.53
▸ CTSL P07711 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ MMP3 P08254 2/20 0.51
▸ PPARG P37231 1/20 0.50
▸ PPARA Q07869 1/20 0.50
▸ LMNA P02545 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA3 P07451 1/20 0.47
▸ CA4 P22748 1/20 0.47
▸ CA6 P23280 1/20 0.47

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
SCHEMBL18766806 0.89 CTSS (0.67) CTSKCTSSCTSBCTSLATM
SCHEMBL18766807 0.89 CTSS (0.67) CTSKCTSSCTSBCTSLATM
SCHEMBL5018959 0.89 CTSK (0.64) CTSKCTSSCTSBCTSLCA2
SCHEMBL12326853 0.88 CTSK (0.67) CTSKCTSSCTSBCTSLPPARG
SCHEMBL12445599 0.88 CTSK (0.67) CTSKCTSSCTSBCTSLPPARG
SCHEMBL8695864 0.86 CTSK (0.63) CTSKCTSSALDH1A1CTSBCTSL
SCHEMBL5351151 0.85 CTSS (0.69) CTSKCTSSCTSBCTSLPPARG
SCHEMBL31036374 0.85 CTSK (0.62) CTSKCTSSALDH1A1PPARGPPARA
SCHEMBL12305803 0.84 PPARA (0.64) CTSKCTSSALDH1A1PPARGPPARA
SCHEMBL8239150 0.84 PPARA (0.64) CTSKCTSSALDH1A1PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10494384-B2 Urea peptoid boric acid compound, pharmaceutical composition thereof, preparation method therefor, and uses thereof PEKING UNIVERSITY (CN) 2019-12-03 — — 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-10494384-B2 Urea peptoid boric acid compound, pharmaceutical composition thereof, preparation method therefor, and uses thereof VIP, NGLY1, SLC14A1 CTSK 2985/4885CTSS 2374/4885ALDH1A1 4448/4885

“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.

Send feedback