SCHEMBL13454722

SCHEMBL13454722

Cc1cc(C)cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccccc3I)cc2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.66
▸ MAPT P10636 4/20 0.66
▸ ALDH1A1 P00352 9/20 0.65
▸ ALOX12 P18054 5/20 0.65
▸ MEN1 O00255 5/20 0.65
▸ KMT2A Q03164 5/20 0.65
▸ SMN1; SMN2 Q16637 4/20 0.65
▸ NPSR1 Q6W5P4 2/20 0.65
▸ POLB P06746 1/20 0.65
▸ HTT P42858 2/20 0.61
▸ PCTP Q9UKL6 2/20 0.53
▸ GPR55 Q9Y2T6 1/20 0.52
▸ THRB P10828 1/20 0.52
▸ CA1 P00915 2/20 0.48
▸ CA2 P00918 2/20 0.48
▸ CA9 Q16790 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ AVPR2 P30518 1/20 0.47
▸ GPR27 Q9NS67 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
SCHEMBL13453791 0.89 MAPT (0.69) LMNAMAPTALDH1A1ALOX12MEN1
SCHEMBL13454603 0.88 PKM (0.56) LMNAMAPTALDH1A1ALOX12MEN1
SCHEMBL17066550 0.88 LMNA (0.67) LMNAMAPTALDH1A1ALOX12MEN1
SCHEMBL17066701 0.88 GPR55 (0.66) LMNAMAPTALDH1A1ALOX12MEN1
SCHEMBL13454759 0.87 ALDH1A1 (0.67) LMNAMAPTALDH1A1ALOX12MEN1
SCHEMBL13454374 0.87 MAPT (0.66) LMNAMAPTALDH1A1ALOX12MEN1
SCHEMBL13454715 0.87 MAPT (0.66) LMNAMAPTALDH1A1ALOX12MEN1
SCHEMBL13454485 0.86 ALDH1A1 (0.54) LMNAMAPTALDH1A1ALOX12MEN1
SCHEMBL13454723 0.86 MEN1 (0.55) LMNAMAPTALDH1A1ALOX12MEN1
SCHEMBL13470492 0.85 LMNA (0.64) LMNAMAPTALDH1A1ALOX12MEN1

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 LMNA 2945/4885MAPT 781/4885ALDH1A1 4289/4885

“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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