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.