SCHEMBL9800760

SCHEMBL9800760

CC(C)(O)[C@H](NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.53
CTRB1 P17538 2/20 0.52
ATM Q13315 2/20 0.52
CTSL P07711 4/20 0.52
CTSS P25774 4/20 0.52
CTSB P07858 3/20 0.52
CTSK P43235 4/20 0.50
ELANE P08246 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MBOAT4 Q96T53 1/20 0.48
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48

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
SCHEMBL12279575 0.90 TRPM8 (0.53) SYKCTRB1ATMCTSLCTSS
SCHEMBL478316 0.90 SYK (0.54) SYKCTRB1ATMCTSLCTSS
SCHEMBL738204 0.90 SYK (0.54) SYKCTRB1ATMCTSLCTSS
SCHEMBL17809612 0.87 SYK (0.53) SYKCTRB1ATMCTSLCTSS
SCHEMBL7333862 0.87 CTRB1 (0.55) SYKCTRB1ATMCTSLCTSS
SCHEMBL15889351 0.87 SYK (0.52) SYKCTRB1ATMCTSLCTSS
SCHEMBL12493693 0.87 CTRB1 (0.55) SYKCTRB1ATMCTSLCTSS
SCHEMBL25272324 0.86 SYK (0.54) SYKCTRB1ATMCTSLCTSS
SCHEMBL8413738 0.86 SYK (0.54) SYKCTRB1ATMCTSLCTSS
SCHEMBL7307186 0.86 CTSS (0.53) SYKCTRB1ATMCTSLCTSS

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-20110212080-A1 UREA DERIVATIVES AS ANTIBACTERIAL AGENTS MERCK SHARP & DOHME CORP. 2011-09-01 US disclosed
EP-0233607-B1 [(2,2,2-Trichloroethoxy) methoxy]amine E.R. Squibb & Sons, Inc. (US) 1991-03-13 EP disclosed
EP-0233607-A2 [(2,2,2-Trichloroethoxy) methoxy]amine E.R. Squibb & Sons, Inc. (US) 1987-08-26 EP 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-20110212080-A1 UREA DERIVATIVES AS ANTIBACTERIAL AGENTS SLC14A1, LPXN, UBXN1 SYK 4634/4885CTRB1 986/4885ATM 4733/4885

“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.