SCHEMBL3830107

SCHEMBL3830107

COc1cccc([C@@H]2NC(C(=O)O)CS2)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.58
MAPT P10636 4/20 0.58
HSD17B10 Q99714 1/20 0.58
S1PR3 Q99500 2/20 0.58
KDM4E B2RXH2 7/20 0.57
POLB P06746 2/20 0.53
ALOX15 P16050 2/20 0.50
PKM P14618 1/20 0.50
MEN1 O00255 1/20 0.48
RECQL P46063 1/20 0.48
BLM P54132 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HRH3 Q9Y5N1 1/20 0.45
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
HTR2C P28335 1/20 0.43

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
SCHEMBL3830104 1.00 ALDH1A1 (0.58) ALDH1A1MAPTHSD17B10S1PR3KDM4E
SCHEMBL8870328 1.00 ALDH1A1 (0.58) ALDH1A1MAPTHSD17B10S1PR3KDM4E
SCHEMBL1760833 0.83 KDM4E (0.71) ALDH1A1MAPTHSD17B10S1PR3KDM4E
SCHEMBL1760831 0.83 KDM4E (0.71) ALDH1A1MAPTHSD17B10S1PR3KDM4E
SCHEMBL2533522 0.83 KDM4E (0.71) ALDH1A1MAPTHSD17B10S1PR3KDM4E
SCHEMBL21607172 0.83 S1PR3 (0.49) ALDH1A1S1PR3KDM4EALOX15
SCHEMBL21607177 0.83 S1PR3 (0.49) ALDH1A1S1PR3KDM4EALOX15
SCHEMBL1683590 0.83 ALDH1A1 (0.50) ALDH1A1MAPTHSD17B10S1PR3KDM4E
SCHEMBL11184776 0.83 ALDH1A1 (0.56) ALDH1A1MAPTHSD17B10S1PR3KDM4E
SCHEMBL16079679 0.82 KDM4E (0.69) ALDH1A1MAPTHSD17B10S1PR3KDM4E

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 4630/4885MAPT 52/4885HSD17B10 4331/4885

“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.