SCHEMBL13454736

SCHEMBL13454736

COc1ccc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccc(Cl)cc3Cl)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PCTP Q9UKL6 3/20 0.69
▸ PPIA P62937 1/20 0.69
▸ MEN1 O00255 4/20 0.67
▸ KMT2A Q03164 4/20 0.67
▸ ALOX12 P18054 3/20 0.67
▸ GAA P10253 2/20 0.67
▸ HPGD P15428 2/20 0.67
▸ CA1 P00915 1/20 0.66
▸ CA2 P00918 1/20 0.66
▸ CA9 Q16790 1/20 0.66
▸ GPR27 Q9NS67 4/20 0.64
▸ AVPR2 P30518 3/20 0.64
▸ FLT1 P17948 1/20 0.63
▸ FLT4 P35916 1/20 0.63
▸ KDR P35968 1/20 0.63
▸ ALDH1A1 P00352 4/20 0.61
▸ TAAR1 Q96RJ0 1/20 0.61
▸ RAB9A P51151 1/20 0.60
▸ MAPT P10636 1/20 0.58
▸ HTT P42858 1/20 0.58

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
SCHEMBL13454737 0.89 PCTP (0.69) PCTPPPIAMEN1KMT2AALOX12
SCHEMBL13454714 0.88 ALDH1A1 (0.79) PCTPPPIAMEN1KMT2AALOX12
SCHEMBL17066583 0.88 GPR27 (0.79) PCTPMEN1KMT2AALOX12GAA
SCHEMBL13454738 0.86 PCTP (0.81) PCTPMEN1KMT2AALOX12GAA
SCHEMBL13454705 0.85 PPIA (0.79) PPIAMEN1KMT2AALOX12HPGD
SCHEMBL13454618 0.85 PCTP (0.74) PCTPMEN1KMT2AALOX12GAA
SCHEMBL13453921 0.85 PPIA (0.70) PPIAMEN1KMT2AALOX12HPGD
SCHEMBL13454563 0.84 PPIA (0.66) PPIAMEN1KMT2AALOX12HPGD
SCHEMBL13454489 0.83 PCTP (0.74) PCTPMEN1KMT2AALOX12GAA
SCHEMBL1235205 0.82 PCTP (1.00) PCTPMEN1KMT2AALOX12GAA

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 PCTP 1/4885PPIA 1136/4885MEN1 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.

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