SCHEMBL3832491

SCHEMBL3832491

COC(=O)c1cccc([C@@H]2NC(C(=O)O)CS2)c1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.73
KDM4E B2RXH2 6/20 0.73
MAPT P10636 4/20 0.56
S1PR3 Q99500 2/20 0.56
HSD17B10 Q99714 1/20 0.56
POLB P06746 2/20 0.51
PKM P14618 1/20 0.48
ALOX15 P16050 2/20 0.46
MEN1 O00255 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TTR P02766 1/20 0.41
HRH3 Q9Y5N1 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
SCHEMBL3832488 1.00 ALDH1A1 (0.73) ALDH1A1KDM4EMAPTS1PR3HSD17B10
SCHEMBL3826156 0.84 ALDH1A1 (1.00) ALDH1A1KDM4EMAPTS1PR3HSD17B10
SCHEMBL3826154 0.84 ALDH1A1 (1.00) ALDH1A1KDM4EMAPTS1PR3HSD17B10
SCHEMBL8870328 0.82 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTS1PR3HSD17B10
SCHEMBL3830104 0.82 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTS1PR3HSD17B10
SCHEMBL3830107 0.82 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTS1PR3HSD17B10
SCHEMBL11184776 0.81 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTS1PR3HSD17B10
SCHEMBL16079679 0.80 KDM4E (0.69) ALDH1A1KDM4EMAPTS1PR3HSD17B10
SCHEMBL8870809 0.79 ALDH1A1 (0.62) ALDH1A1KDM4EMAPTS1PR3HSD17B10
SCHEMBL2029800 0.78 ALDH1A1 (0.76) ALDH1A1KDM4EMAPTS1PR3HSD17B10

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
EP-2099778-A2 AMIDO ANTI-VIRAL COMPOUNDS Smithkline Beecham Corporation (US) 2009-09-16 EP disclosed
US-20080181866-A1 Amido Anti-viral Compounds GENELABS TECHNOLOGIES, INC. 2008-07-31 US disclosed
WO-2008064218-A2 AMIDO ANTI-VIRAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-05-29 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 (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-20080181866-A1 Amido Anti-viral Compounds ZC3HAV1, U2SURP, ZC3HAV1L ALDH1A1 4630/4885KDM4E 2989/4885MAPT 52/4885

“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.