SCHEMBL13454628

SCHEMBL13454628

Cc1ccc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccccc3Br)cc2)cc1C

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.56
▸ ALDH1A1 P00352 7/20 0.53
▸ LMNA P02545 5/20 0.53
▸ GPR27 Q9NS67 4/20 0.53
▸ MAPT P10636 6/20 0.52
▸ ALOX12 P18054 5/20 0.52
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ HTT P42858 3/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ NPSR1 Q6W5P4 2/20 0.52
▸ GPR55 Q9Y2T6 1/20 0.51
▸ RECQL P46063 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ THRB P10828 1/20 0.51
▸ CA1 P00915 2/20 0.50
▸ CA2 P00918 2/20 0.50
▸ CA9 Q16790 2/20 0.50
▸ GLA P06280 1/20 0.49

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
SCHEMBL13453793 0.90 ALDH1A1 (0.61) PKMALDH1A1LMNAMAPTALOX12
SCHEMBL17066605 0.88 PKM (0.57) PKMALDH1A1LMNAMAPTALOX12
SCHEMBL13454759 0.88 ALDH1A1 (0.67) ALDH1A1LMNAGPR27MAPTALOX12
SCHEMBL13454603 0.88 PKM (0.56) PKMALDH1A1LMNAMAPTALOX12
SCHEMBL13454607 0.88 CA1 (0.64) PKMALDH1A1GPR27ALOX12MEN1
SCHEMBL13454382 0.88 ALDH1A1 (0.62) PKMALDH1A1LMNAGPR27MAPT
SCHEMBL12903592 0.87 ALDH1A1 (0.55) ALDH1A1LMNAGPR27MAPTALOX12
SCHEMBL17066579 0.87 GPR55 (0.66) ALDH1A1LMNAGPR27MAPTMEN1
SCHEMBL13454034 0.86 PKM (0.57) PKMALDH1A1LMNAGPR27MAPT
SCHEMBL13470476 0.86 PKM (0.54) PKMALDH1A1LMNAMAPTALOX12

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 PKM 1068/4885ALDH1A1 4289/4885LMNA 2945/4885

“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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