SCHEMBL13469733

SCHEMBL13469733

CCOc1ccc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3cccc(C(=O)OC)c3)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.67
KMT2A Q03164 4/20 0.67
MEN1 O00255 3/20 0.67
MAPT P10636 6/20 0.63
ALOX12 P18054 6/20 0.63
NPSR1 Q6W5P4 3/20 0.63
POLB P06746 2/20 0.63
LMNA P02545 1/20 0.63
GAA P10253 1/20 0.63
HTT P42858 2/20 0.61
GLA P06280 1/20 0.58
NPC1 O15118 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
RAB9A P51151 2/20 0.58
TCF4 P15884 1/20 0.53
CTNNB1 P35222 1/20 0.53
CCR6 P51684 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
GPR55 Q9Y2T6 1/20 0.52

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
SCHEMBL13453800 0.91 ALDH1A1 (0.71) ALDH1A1KMT2AMEN1MAPTALOX12
SCHEMBL13469987 0.91 ALDH1A1 (0.70) ALDH1A1KMT2AMEN1MAPTALOX12
SCHEMBL13469732 0.90 ALDH1A1 (0.72) ALDH1A1KMT2AMEN1MAPTALOX12
SCHEMBL13469980 0.90 TCF4 (0.65) ALDH1A1KMT2AMEN1MAPTALOX12
SCHEMBL13453859 0.90 ALDH1A1 (0.68) ALDH1A1KMT2AMEN1MAPTALOX12
SCHEMBL13470000 0.89 ALDH1A1 (0.66) ALDH1A1KMT2AMEN1MAPTALOX12
SCHEMBL13454554 0.89 ALDH1A1 (0.67) ALDH1A1KMT2AMEN1MAPTALOX12
SCHEMBL13454764 0.88 ALDH1A1 (0.74) ALDH1A1KMT2AMEN1MAPTALOX12
SCHEMBL17066680 0.88 GPR55 (0.66) ALDH1A1KMT2AMEN1MAPTALOX12
SCHEMBL13470037 0.87 ALDH1A1 (0.70) ALDH1A1KMT2AMEN1MAPTALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9126938-B2 Phosphatidylcholine transfer protein inhibitors THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2015-09-08 US disclosed
US-20120264756-A1 Phosphatidylcholine Transfer Protein Inhibitors THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2012-10-18 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-20120264756-A1 Phosphatidylcholine Transfer Protein Inhibitors PCTP, LCAT, CETP ALDH1A1 4289/4885KMT2A 1676/4885MEN1 1940/4885

“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.