SCHEMBL13454720

SCHEMBL13454720

COc1ccc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccccc3I)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.64
▸ KMT2A Q03164 6/20 0.64
▸ MEN1 O00255 5/20 0.64
▸ ALOX12 P18054 3/20 0.64
▸ TAAR1 Q96RJ0 1/20 0.64
▸ MAPT P10636 2/20 0.60
▸ HTT P42858 1/20 0.60
▸ PPIA P62937 1/20 0.59
▸ RAB9A P51151 1/20 0.59
▸ CA1 P00915 2/20 0.55
▸ CA2 P00918 2/20 0.55
▸ CA9 Q16790 2/20 0.55
▸ GPR55 Q9Y2T6 2/20 0.53
▸ AVPR2 P30518 2/20 0.53
▸ GPR27 Q9NS67 2/20 0.53
▸ LMNA P02545 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ HPGD P15428 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ PGR P06401 1/20 0.51

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
SCHEMBL17066701 0.89 GPR55 (0.66) ALDH1A1KMT2AMEN1ALOX12MAPT
SCHEMBL13454721 0.89 ALDH1A1 (0.69) ALDH1A1KMT2AMEN1ALOX12TAAR1
SCHEMBL17066664 0.88 ALDH1A1 (0.65) ALDH1A1KMT2AMEN1ALOX12TAAR1
SCHEMBL13454546 0.88 CA1 (0.71) ALDH1A1KMT2AMEN1ALOX12TAAR1
SCHEMBL13453795 0.88 ALDH1A1 (0.65) ALDH1A1KMT2AMEN1ALOX12TAAR1
SCHEMBL13454714 0.88 ALDH1A1 (0.79) ALDH1A1KMT2AMEN1ALOX12TAAR1
SCHEMBL13454757 0.88 AVPR2 (0.64) ALDH1A1KMT2AMEN1ALOX12TAAR1
SCHEMBL13454385 0.88 ALDH1A1 (0.70) ALDH1A1KMT2AMEN1ALOX12TAAR1
SCHEMBL13470045 0.86 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1ALOX12TAAR1
SCHEMBL13454742 0.85 MAPT (0.61) ALDH1A1KMT2AMEN1ALOX12TAAR1

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 4289/4885KMT2A 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.

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