SCHEMBL12470464

SCHEMBL12470464

O=C(NC(=S)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)C1CC1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.69
MEN1 O00255 5/20 0.69
KMT2A Q03164 5/20 0.69
GPR55 Q9Y2T6 1/20 0.66
POLB P06746 2/20 0.64
NPSR1 Q6W5P4 1/20 0.61
LMNA P02545 7/20 0.59
MAPT P10636 3/20 0.58
ALOX12 P18054 3/20 0.58
PPARG P37231 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.55
PRMT1 Q99873 2/20 0.54
RECQL P46063 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
SCHEMBL15840506 0.96 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AGPR55POLB
SCHEMBL25132370 0.84 ALDH1A1 (0.71) ALDH1A1MEN1KMT2AGPR55NPSR1
SCHEMBL15840597 0.82 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AGPR55LMNA
SCHEMBL15840535 0.81 GPR55 (0.67) ALDH1A1MEN1KMT2AGPR55NPSR1
SCHEMBL15840638 0.81 ALDH1A1 (0.68) ALDH1A1MEN1KMT2AGPR55POLB
SCHEMBL15840617 0.80 GPR55 (0.66) ALDH1A1MEN1KMT2AGPR55NPSR1
SCHEMBL15840505 0.80 GPR55 (0.65) ALDH1A1MEN1KMT2AGPR55POLB
SCHEMBL15840531 0.77 ALDH1A1 (0.91) ALDH1A1MEN1KMT2AGPR55LMNA
SCHEMBL16690121 0.77 MEN1 (0.67) ALDH1A1MEN1KMT2AGPR55POLB
SCHEMBL3850394 0.76 ALDH1A1 (1.00) ALDH1A1MEN1KMT2APOLBNPSR1

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
US-20140179681-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT Errico, Joseph P. (US) 2014-06-26 US disclosed
US-20140179681-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT Errico, Joseph P. (US) 2014-06-26 US disclosed
WO-2011085129-A2 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT ERRICO JOSEPH P 2011-07-14 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-20140179681-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT EGFR, ERBB2, ERBB3 ALDH1A1 4348/4885MEN1 3121/4885KMT2A 3667/4885

“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.