SCHEMBL13454749

SCHEMBL13454749

Cc1cc(C)cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.66
▸ CA2 P00918 2/20 0.66
▸ CA9 Q16790 1/20 0.66
▸ MAPT P10636 9/20 0.64
▸ KDM4E B2RXH2 2/20 0.64
▸ ALDH1A1 P00352 11/20 0.61
▸ KMT2A Q03164 6/20 0.61
▸ MEN1 O00255 5/20 0.61
▸ LMNA P02545 4/20 0.61
▸ ALOX12 P18054 4/20 0.61
▸ SMN1; SMN2 Q16637 3/20 0.61
▸ NPSR1 Q6W5P4 2/20 0.61
▸ POLB P06746 1/20 0.61
▸ HPGD P15428 4/20 0.61
▸ GAA P10253 3/20 0.61
▸ HTT P42858 1/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ GPR55 Q9Y2T6 1/20 0.56
▸ CYP3A4 P08684 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55

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
SCHEMBL13454702 0.92 ALDH1A1 (0.61) CA1CA2CA9MAPTKDM4E
SCHEMBL13454367 0.89 ALDH1A1 (0.68) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL13454730 0.89 ALDH1A1 (0.72) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL13454619 0.89 CA1 (0.65) CA1CA2CA9MAPTKDM4E
SCHEMBL13453838 0.87 ALDH1A1 (0.66) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL17066561 0.87 ALDH1A1 (0.66) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL13454750 0.86 CA1 (0.61) CA1CA2CA9MAPTKDM4E
SCHEMBL17066681 0.86 GPR55 (0.76) CA1CA2CA9MAPTKDM4E
SCHEMBL13454707 0.86 ALDH1A1 (0.64) CA1CA2CA9MAPTKDM4E
SCHEMBL13454755 0.86 ALDH1A1 (0.71) CA1MAPTALDH1A1KMT2AMEN1

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 3 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

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 CA1 4446/4885CA2 3474/4885CA9 4353/4885

“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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