SCHEMBL15840705

SCHEMBL15840705

COc1cccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)c1

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPIA P62937 3/20 0.78
IDH1 O75874 1/20 0.61
MAPT P10636 3/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
IDO1 P14902 1/20 0.58
ALDH1A1 P00352 3/20 0.56
AVPR2 P30518 2/20 0.56
GPR27 Q9NS67 2/20 0.56
CRHBP P24387 1/20 0.55
CRHR2 Q13324 1/20 0.55
LMNA P02545 2/20 0.55
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
MAPK1 P28482 1/20 0.55
ALOX12 P18054 1/20 0.54
TAAR1 Q96RJ0 1/20 0.54

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
SCHEMBL12112909 0.90 IDH1 (0.74) PPIAIDH1MAPTMEN1KMT2A
SCHEMBL15840807 0.86 ALDH1A1 (0.74) PPIAIDH1MAPTMEN1KMT2A
SCHEMBL15840641 0.84 PPIA (0.74) PPIAMAPTMEN1KMT2AALDH1A1
SCHEMBL25132396 0.83 ALDH1A1 (0.74) PPIAMAPTMEN1KMT2AALDH1A1
SCHEMBL15840711 0.83 ALDH1A1 (0.74) PPIAMAPTMEN1KMT2AALDH1A1
SCHEMBL15840733 0.82 PPIA (0.71) PPIAIDH1MAPTMEN1KMT2A
SCHEMBL12112908 0.82 MAPT (0.67) IDH1MAPTMEN1KMT2AALDH1A1
SCHEMBL15840729 0.81 PPIA (0.70) PPIAIDH1MAPTMEN1KMT2A
SCHEMBL29561435 0.81 PGR (0.64) ALDH1A1LMNATSHRALOX12
SCHEMBL15840632 0.81 ALDH1A1 (0.74) PPIAMAPTMEN1KMT2AALDH1A1

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 1884/4885IDH1 2175/4885MAPT 1076/4885

“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.