SCHEMBL166804

SCHEMBL166804

Cc1cc(C(=O)O)cc(C(=O)N2CCCC2c2cccs2)c1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
POLB P06746 1/20 0.54
HSD17B10 Q99714 1/20 0.44
LMNA P02545 2/20 0.43
GRM5 P41594 2/20 0.42
HCRTR1 O43613 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
PTGS2 P35354 2/20 0.40
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.39
NR3C2 P08235 1/20 0.39

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
SCHEMBL10140476 0.92 NPC1 (0.57) NPC1RAB9APOLBHSD17B10LMNA
SCHEMBL167074 0.88 NPC1 (0.56) NPC1RAB9APOLBHSD17B10LMNA
SCHEMBL166512 0.87 POLB (0.57) NPC1RAB9APOLBHSD17B10LMNA
SCHEMBL166110 0.84 POLB (0.47) NPC1RAB9APOLBHSD17B10LMNA
SCHEMBL166963 0.82 RIPK1 (0.54)
SCHEMBL715644 0.82 POLB (0.50) NPC1RAB9APOLBHSD17B10LMNA
SCHEMBL164861 0.79 POLB (0.53) NPC1RAB9APOLBHSD17B10LMNA
SCHEMBL166997 0.79 TRPV1 (0.43) POLBHSD17B10KDM4ESMN1; SMN2
SCHEMBL166998 0.79 TRPV1 (0.43) POLBHSD17B10KDM4ESMN1; SMN2
SCHEMBL256556 0.76 RIPK1 (0.53)

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 NPC1 120/4885RAB9A 3788/4885POLB 1391/4885

“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.