SCHEMBL4583612

SCHEMBL4583612

CC(C)(C)OC(=O)NCC(CC(=O)O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
GAA P10253 1/20 0.50
CTSS P25774 3/20 0.49
CTSK P43235 2/20 0.49
SYK P43405 1/20 0.49
GABBR2 O75899 1/20 0.47
GABBR1 Q9UBS5 1/20 0.47
ATM Q13315 2/20 0.46
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
MALT1 Q9UDY8 1/20 0.42
IDO1 P14902 1/20 0.42
KMT2A Q03164 1/20 0.42
FNTA P49354 2/20 0.41
FNTB P49356 2/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41

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
SCHEMBL16680112 1.00 MAPT (0.54) MAPTGAACTSSCTSKSYK
SCHEMBL5085011 0.89 SYK (0.47) MAPTGAACTSSCTSKSYK
SCHEMBL20773522 0.89 SYK (0.47) MAPTGAACTSSCTSKSYK
SCHEMBL21610479 0.89 CTSS (0.47) MAPTGAACTSSCTSKSYK
SCHEMBL1998566 0.88 ATM (0.59) MAPTGAASYKGABBR2GABBR1
SCHEMBL637735 0.88 ATM (0.59) MAPTGAASYKGABBR2GABBR1
SCHEMBL16798314 0.87 SYK (0.48) MAPTGAACTSSCTSKSYK
SCHEMBL21609312 0.87 PTGFR (0.47) MAPTGAACTSSCTSKSYK
SCHEMBL29848250 0.87 PTGFR (0.47) MAPTGAACTSSCTSKSYK
SCHEMBL5742834 0.87 CTSK (0.50) MAPTGAACTSSCTSKSYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210380548-A1 Fused [1,2,4]Thiadiazine Derivatives Which Act as KAT Inhibitors of the MYST Family CTXT PTY LIMITED (AU) 2021-12-09 US disclosed
WO-2019043139-A1 FUSED [1,2,4]THIADIAZINE DERIVATIVES WHICH ACT AS KAT INHIBITORS OF THE MYST FAMILY CTXT PTY LIMITED (AU) 2019-03-07 WO disclosed
US-9452990-B2 Complement pathway modulators and uses thereof NOVARTIS AG (CH) 2016-09-27 US disclosed
EP-2864322-B1 COMPLEMENT PATHWAY MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2016-04-27 EP disclosed
US-20150126492-A1 Complement Pathway Modulators and Uses Thereof NOVARTIS AG (CH) 2015-05-07 US disclosed
EP-1968568-A2 INHIBITORS OF Akt ACTIVITY SmithKline Beecham Corporation (US) 2008-09-17 EP disclosed
WO-2007076423-A2 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 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 (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-20210380548-A1 Fused [1,2,4]Thiadiazine Derivatives Which Act as KAT Inhibitors of the MYST Family KAT5, KAT6A, KAT2A MAPT 422/4885GAA 4343/4885CTSS 4370/4885
US-20150126492-A1 Complement Pathway Modulators and Uses Thereof CFB, CFH, TFPI MAPT 3161/4885GAA 2871/4885CTSS 2195/4885

“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.