SCHEMBL166110

SCHEMBL166110

CN(c1cc(C(=O)O)cc(C(=O)N2CCCC2c2cccs2)c1)S(C)(=O)=O

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.47
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ LMNA P02545 2/20 0.42
▸ PTGS2 P35354 3/20 0.40
▸ HSD17B10 Q99714 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ USP30 Q70CQ3 1/20 0.36
▸ HCRTR1 O43613 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ HPGD P15428 1/20 0.35

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
SCHEMBL167476 0.90 NPC1 (0.45) POLBNPC1RAB9ALMNAHSD17B10
SCHEMBL167323 0.85 HSP90AA1 (0.47) TP53HPGD
SCHEMBL166804 0.84 NPC1 (0.56) POLBNPC1RAB9ALMNAPTGS2
SCHEMBL166455 0.81 CPT1A (0.38) POLBUSP30
SCHEMBL715026 0.81 CPT1A (0.38) POLBUSP30
SCHEMBL715644 0.81 POLB (0.50) POLBNPC1RAB9ALMNAPTGS2
SCHEMBL166512 0.80 POLB (0.57) POLBNPC1RAB9ALMNAHSD17B10
SCHEMBL256561 0.80 HSP90AA1 (0.46) TP53HPGD
SCHEMBL10140476 0.76 NPC1 (0.57) POLBNPC1RAB9ALMNAHSD17B10
SCHEMBL164502 0.76 RIPK1 (0.46) HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611441-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F.HOFFMANN-LA ROCHE AG (CH) 2013-07-10 — — EP disclosed
WO-2012028563-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-08 — — WO disclosed
WO-2012028563-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-08 — — WO disclosed
US-20120053200-A1 BACE 2 INHIBITORS HOFFMANN-LA ROCHE INC. 2012-03-01 — — US disclosed
US-20120053200-A1 BACE 2 INHIBITORS HOFFMANN-LA ROCHE INC. 2012-03-01 — — US disclosed
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 1391/4885NPC1 120/4885RAB9A 3788/4885

“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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