SCHEMBL19782877

SCHEMBL19782877

CCOC(=O)CC(=O)c1cc(C(F)(F)F)ccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.56
GAA P10253 2/20 0.56
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 2/20 0.44
DDR1 Q08345 1/20 0.43
MAPT P10636 1/20 0.43
POLB P06746 3/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GRIN1 Q05586 2/20 0.41
GRIN2B Q13224 2/20 0.41
KDR P35968 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
RAF1 P04049 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL20944365 0.84 GAA (0.59) L3MBTL1GAAALDH1A1KDM4EDDR1
SCHEMBL29537205 0.84 GAA (0.59) L3MBTL1GAAALDH1A1KDM4EDDR1
SCHEMBL15993406 0.81 PKM (0.44) GAAALDH1A1KDM4ECYP1A2CYP2C9
SCHEMBL25898677 0.81 ALDH1A1 (0.48) L3MBTL1GAAALDH1A1DDR1MAPT
SCHEMBL20956597 0.81 ALDH1A1 (0.45) L3MBTL1GAAALDH1A1DDR1CYP1A2
SCHEMBL27028348 0.79 NOS1 (0.45) GAAALDH1A1KDM4EMAPTPOLB
SCHEMBL4339936 0.79 MAPT (0.52) L3MBTL1GAAALDH1A1KDM4EMAPT
SCHEMBL1427075 0.78 L3MBTL1 (0.55) L3MBTL1GAAALDH1A1MAPTPOLB
SCHEMBL3403936 0.78 KDM4E (0.47) GAAALDH1A1KDM4EMAPTNPC1
SCHEMBL2643391 0.77 CYP1A2 (0.55) L3MBTL1GAAALDH1A1KDM4EMAPT

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-10913734-B2 Substituted aminothiazoles BARUCH S. BLUMBERG INSTITUTE 2021-02-09 US disclosed
US-20190241552-A1 SUBSTITUTED AMINOTHIAZOLES BARUCH S. BLUMBERG INSTITUTE 2019-08-08 US disclosed
WO-2018013508-A1 SUBSTITUTED AMINOTHIAZOLES BARUCH S. BLUMBERG INSTITUTE (US) 2018-01-18 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-10913734-B2 Substituted aminothiazoles ABAT, AADAT, BCAT1 L3MBTL1 940/4885GAA 3355/4885ALDH1A1 571/4885
US-20190241552-A1 SUBSTITUTED AMINOTHIAZOLES ABAT, AADAT, BCAT1 L3MBTL1 940/4885GAA 3355/4885ALDH1A1 571/4885

“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.