SCHEMBL13454348

SCHEMBL13454348

CCOc1ccc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccccc3OCCC(C)C)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.64
▸ MAPT P10636 6/20 0.64
▸ KMT2A Q03164 6/20 0.64
▸ MEN1 O00255 5/20 0.64
▸ ALOX12 P18054 4/20 0.64
▸ NPSR1 Q6W5P4 3/20 0.64
▸ HTT P42858 2/20 0.64
▸ LMNA P02545 2/20 0.64
▸ POLB P06746 1/20 0.64
▸ GAA P10253 1/20 0.58
▸ RXFP1 Q9HBX9 4/20 0.52
▸ HSD17B10 Q99714 1/20 0.50
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ TAAR1 Q96RJ0 1/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ NPC1 O15118 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ MAPK1 P28482 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
SCHEMBL13454355 0.92 ALDH1A1 (0.62) ALDH1A1MAPTKMT2AMEN1ALOX12
SCHEMBL13454352 0.92 ALDH1A1 (0.59) ALDH1A1MAPTKMT2AMEN1ALOX12
SCHEMBL17066536 0.91 ALDH1A1 (0.66) ALDH1A1MAPTKMT2AMEN1ALOX12
SCHEMBL13454451 0.91 ALDH1A1 (0.70) ALDH1A1MAPTKMT2AMEN1ALOX12
SCHEMBL13454304 0.90 ALDH1A1 (0.64) ALDH1A1MAPTKMT2AMEN1ALOX12
SCHEMBL13454183 0.90 ALDH1A1 (0.64) ALDH1A1MAPTKMT2AMEN1ALOX12
SCHEMBL13454321 0.90 KMT2A (0.63) ALDH1A1MAPTKMT2AMEN1ALOX12
SCHEMBL13453948 0.90 KMT2A (0.63) ALDH1A1MAPTKMT2AMEN1ALOX12
SCHEMBL13454358 0.89 KMT2A (0.62) ALDH1A1MAPTKMT2AMEN1ALOX12
SCHEMBL17066620 0.89 ALDH1A1 (0.67) ALDH1A1MAPTKMT2AMEN1ALOX12

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 4 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-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
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 4289/4885MAPT 781/4885KMT2A 1676/4885

“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.

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