SCHEMBL715644

SCHEMBL715644

CS(=O)(=O)CNc1cc(C(=O)O)cc(C(=O)N2CCCC2c2cccs2)c1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.50
▸ RAB9A P51151 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ LMNA P02545 3/20 0.41
▸ MEN1 O00255 8/20 0.40
▸ KMT2A Q03164 8/20 0.40
▸ PTGS2 P35354 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ PKM P14618 1/20 0.37

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
SCHEMBL716612 0.91 NPC1 (0.46) POLBRAB9ANPC1LMNAMEN1
SCHEMBL716840 0.85 HSP90AA1 (0.45) —
SCHEMBL166804 0.82 NPC1 (0.56) POLBRAB9ANPC1LMNAMEN1
SCHEMBL715025 0.82 NAA50 (0.38) POLBHSD17B10KDM4EHTT
SCHEMBL166110 0.81 POLB (0.47) POLBRAB9ANPC1LMNAMEN1
SCHEMBL166512 0.79 POLB (0.57) POLBRAB9ANPC1LMNAHSD17B10
SCHEMBL717696 0.77 RIPK1 (0.45) ALDH1A1
SCHEMBL715961 0.75 BACE1 (0.55) —
SCHEMBL10140476 0.75 NPC1 (0.57) POLBRAB9ANPC1LMNAMEN1
SCHEMBL716412 0.74 BACE1 (0.57) —

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120053200-A1 BACE 2 INHIBITORS HOFFMANN-LA ROCHE INC. 2012-03-01 — — 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-20120053200-A1 BACE 2 INHIBITORS BACE2, BACE1, PSEN2 POLB 1391/4885RAB9A 3788/4885NPC1 120/4885

“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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