SCHEMBL15840679

SCHEMBL15840679

CC(C)c1ccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPIA P62937 4/20 0.57
MAPT P10636 4/20 0.56
LMNA P02545 3/20 0.56
PGR P06401 1/20 0.53
ALDH1A1 P00352 8/20 0.53
SMN1; SMN2 Q16637 2/20 0.50
GHSR Q92847 1/20 0.48
TRIM24 O15164 1/20 0.48
BRD1 O95696 1/20 0.48
BRPF1 P55201 1/20 0.48
PKM P14618 1/20 0.48
IDO1 P14902 1/20 0.48
IDH1 O75874 1/20 0.47
MEN1 O00255 1/20 0.47
ALOX12 P18054 1/20 0.47
KMT2A Q03164 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47

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
SCHEMBL15840715 0.90 PPIA (0.70) PPIAMAPTLMNAPGRALDH1A1
SCHEMBL15840701 0.87 MAPT (0.66) PPIAMAPTLMNAPGRALDH1A1
SCHEMBL15840810 0.85 LMNA (0.74) PPIAMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL15840813 0.84 ALDH1A1 (0.69) PPIAMAPTLMNAPGRALDH1A1
SCHEMBL15840707 0.84 ALDH1A1 (0.65) PPIAMAPTLMNAALDH1A1GHSR
SCHEMBL15840663 0.84 PKM (0.59) PPIAMAPTLMNAALDH1A1PKM
SCHEMBL15840508 0.83 ALDH1A1 (0.57) PPIAMAPTLMNAALDH1A1MEN1
SCHEMBL15840434 0.82 MAPT (0.70) PPIAMAPTLMNAALDH1A1PKM
SCHEMBL15840729 0.81 PPIA (0.70) PPIAMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL15840811 0.81 MAPT (0.70) PPIAMAPTLMNAALDH1A1SMN1; SMN2

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 1884/4885MAPT 1076/4885LMNA 2183/4885

“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.