SCHEMBL14562913

SCHEMBL14562913

CC[C@H](NC(=O)C(CC(=O)N1CCCCC1)CS(=O)(=O)Cc1ccccc1)C(=O)c1nnc(-c2ccncc2)o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.39
RAB9A P51151 6/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 6/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
USP2 O75604 2/20 0.38
MAPK1 P28482 2/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
PKM P14618 2/20 0.38
KDM4E B2RXH2 1/20 0.38
FAAH O00519 1/20 0.38
CES1 P23141 1/20 0.38
CTSK P43235 2/20 0.37
HIF1A Q16665 1/20 0.37
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.35
PIN1 Q13526 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
SCHEMBL5422043 1.00 NPC1 (0.39) NPC1RAB9AL3MBTL1POLBALDH1A1
SCHEMBL14562909 0.99 L3MBTL1 (0.39) NPC1RAB9AL3MBTL1POLBALDH1A1
SCHEMBL5419930 0.99 L3MBTL1 (0.39) NPC1RAB9AL3MBTL1POLBALDH1A1
SCHEMBL5424719 0.96 NPC1 (0.41) NPC1RAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL5424625 0.95 NPC1 (0.40) NPC1RAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL14562963 0.95 NPC1 (0.40) NPC1RAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL14562986 0.93 RAB9A (0.39) RAB9AALDH1A1SMN1; SMN2PKMFAAH
SCHEMBL5421858 0.93 RAB9A (0.39) RAB9AALDH1A1SMN1; SMN2PKMFAAH
SCHEMBL5424732 0.89 RAB9A (0.42) RAB9AALDH1A1SMN1; SMN2LMNACTSK
SCHEMBL5415710 0.86 FAAH (0.39) RAB9AALDH1A1SMN1; SMN2KDM4EFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-01 US disclosed
US-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-01 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-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE NPC1 37/4885RAB9A 512/4885L3MBTL1 4113/4885

“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.