SCHEMBL2970979

SCHEMBL2970979

Cc1nc(S(C)(=O)=O)ncc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.54
ALDH1A1 P00352 5/20 0.44
HTT P42858 3/20 0.44
NPC1 O15118 2/20 0.44
MAPK1 P28482 2/20 0.44
TP53 P04637 2/20 0.44
MAPT P10636 1/20 0.44
XBP1 P17861 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TLR9 Q9NR96 1/20 0.44
KDM4E B2RXH2 2/20 0.43
KMT2A Q03164 2/20 0.43
GABRP O00591 2/20 0.42
GABRD O14764 2/20 0.42
GABRA1 P14867 2/20 0.42
GABRB1 P18505 2/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
GABRA5 P31644 2/20 0.42

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
SCHEMBL18844140 0.85 SMN1; SMN2 (0.48) HPGDALDH1A1HTTNPC1MAPK1
SCHEMBL333877 0.82 TP53 (0.46) HPGDALDH1A1HTTNPC1MAPK1
SCHEMBL27535755 0.82 GABRP (0.42) HPGDALDH1A1HTTNPC1MAPK1
Hydrochloric Acid SCHEMBL11488662 0.82 ALDH1A1 (0.39) HPGDALDH1A1HTTNPC1MAPK1
Hydrochloric Acid SCHEMBL11488412 0.81 TP53 (0.44) HPGDALDH1A1HTTNPC1MAPK1
SCHEMBL16824353 0.80 GABRP (0.45) HPGDALDH1A1HTTNPC1MAPK1
SCHEMBL4763594 0.78 MAPT (0.63) ALDH1A1HTTNPC1MAPK1TP53
SCHEMBL5660978 0.78 HPGD (0.47) HPGDALDH1A1HTTNPC1HSD17B10
SCHEMBL6016298 0.77 MEN1 (0.47) HPGDALDH1A1MAPK1MAPTKDM4E
SCHEMBL1434641 0.76 HPGD (0.61) HPGDALDH1A1HTTNPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772245-B2 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
EP-1439169-B1 DIFLUOROALKENE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE SAME, AND INTERMEDIATE THEREFOR KUMIAI CHEMICAL INDUSTRY CO (JP) 2008-08-06 EP disclosed
EP-1851219-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF HISTONE DEACETYLASE Miikana Therapeutics, Inc. (US) 2007-11-07 EP disclosed
US-20060199829-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS, INC. 2006-09-07 US disclosed
WO-2006088949-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF HISTONE DEACETYLASE MIIKANA THERAPEUTICS, INC. (US) 2006-08-24 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-20060199829-A1 Inhibitors of histone deacetylase HDAC1, HDAC2, HDAC11 HPGD 481/4885ALDH1A1 806/4885HTT 1473/4885

“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.