SCHEMBL15840641

SCHEMBL15840641

COc1ccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1OC

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPIA P62937 2/20 0.74
LMNA P02545 4/20 0.62
HTT P42858 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
MAPK1 P28482 2/20 0.62
ALOX15 P16050 1/20 0.62
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
ALDH1A1 P00352 7/20 0.58
MAPT P10636 3/20 0.58
GAA P10253 2/20 0.58
AVPR2 P30518 1/20 0.55
GPR27 Q9NS67 1/20 0.55
TP53 P04637 1/20 0.54
TSHR P16473 3/20 0.54
PKM P14618 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C19 P33261 1/20 0.53

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
SCHEMBL15840660 0.92 PPIA (0.62) PPIALMNAHTTSMN1; SMN2MAPK1
SCHEMBL15840685 0.89 PPIA (0.72) PPIALMNAHTTSMN1; SMN2MAPK1
SCHEMBL15840666 0.88 LMNA (0.63) PPIALMNAHTTSMN1; SMN2MAPK1
SCHEMBL15840673 0.85 PPIA (0.67) PPIALMNAHTTMAPK1MEN1
SCHEMBL15840733 0.84 PPIA (0.71) PPIALMNAHTTSMN1; SMN2MAPK1
SCHEMBL15840705 0.84 PPIA (0.78) PPIALMNAMAPK1ALOX15MEN1
SCHEMBL15840714 0.82 HTT (0.67) LMNAHTTSMN1; SMN2MAPK1ALOX15
SCHEMBL15840723 0.82 FFAR4 (0.67) PPIALMNAHTTSMN1; SMN2MAPK1
SCHEMBL15840818 0.81 PPIA (0.74) PPIALMNASMN1; SMN2MEN1KMT2A
SCHEMBL15840655 0.81 ALDH1A1 (0.71) PPIALMNAMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140179681-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT Errico, Joseph P. (US) 2014-06-26 US 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-20140179681-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT EGFR, ERBB2, ERBB3 PPIA 1884/4885LMNA 2183/4885HTT 1693/4885

“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.