SCHEMBL13454757

SCHEMBL13454757

COc1ccc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccccc3Br)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AVPR2 P30518 2/20 0.64
▸ GPR27 Q9NS67 2/20 0.64
▸ ALDH1A1 P00352 7/20 0.64
▸ KMT2A Q03164 5/20 0.64
▸ MEN1 O00255 4/20 0.64
▸ ALOX12 P18054 2/20 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 0.58
▸ CA2 P00918 2/20 0.58
▸ CA9 Q16790 2/20 0.58
▸ POLB P06746 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ GPR55 Q9Y2T6 2/20 0.53
▸ LMNA P02545 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL17066579 0.89 GPR55 (0.66) AVPR2GPR27ALDH1A1KMT2AMEN1
SCHEMBL13454758 0.89 ALDH1A1 (0.69) AVPR2GPR27ALDH1A1KMT2AMEN1
SCHEMBL13453795 0.88 ALDH1A1 (0.65) AVPR2GPR27ALDH1A1KMT2AMEN1
SCHEMBL13454546 0.88 CA1 (0.71) ALDH1A1KMT2AMEN1ALOX12TAAR1
SCHEMBL17066664 0.88 ALDH1A1 (0.65) AVPR2GPR27ALDH1A1KMT2AMEN1
SCHEMBL13454714 0.88 ALDH1A1 (0.79) AVPR2GPR27ALDH1A1KMT2AMEN1
SCHEMBL13454720 0.88 ALDH1A1 (0.64) AVPR2GPR27ALDH1A1KMT2AMEN1
SCHEMBL13454385 0.88 ALDH1A1 (0.70) AVPR2GPR27ALDH1A1KMT2AMEN1
SCHEMBL13470045 0.86 ALDH1A1 (0.61) AVPR2GPR27ALDH1A1KMT2AMEN1
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 AVPR2 4686/4885GPR27 982/4885ALDH1A1 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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