SCHEMBL6462278

SCHEMBL6462278

N[C@@H](CCc1ccccc1)C(O)c1nc2ccccc2o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.42
CES1 P23141 1/20 0.42
DAGLA Q9Y4D2 1/20 0.42
NPC1 O15118 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MAPT P10636 3/20 0.42
RAB9A P51151 3/20 0.42
TP53 P04637 3/20 0.42
HTT P42858 1/20 0.42
GFER P55789 1/20 0.42
METAP2 P50579 3/20 0.40
METAP1 P53582 3/20 0.40
XDH P47989 2/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
LMNA P02545 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 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
SCHEMBL7561710 1.00 FAAH (0.42) FAAHCES1DAGLANPC1SMN1; SMN2
SCHEMBL5431040 1.00 FAAH (0.42) FAAHCES1DAGLANPC1SMN1; SMN2
SCHEMBL7732346 1.00 FAAH (0.42) FAAHCES1DAGLANPC1SMN1; SMN2
SCHEMBL8059666 0.86 HDAC3 (0.42) FAAHCES1DAGLANPC1SMN1; SMN2
SCHEMBL8136679 0.86 HDAC3 (0.42) FAAHCES1DAGLANPC1SMN1; SMN2
SCHEMBL7732480 0.85 HSD17B10 (0.41) DAGLANPC1SMN1; SMN2MAPTRAB9A
SCHEMBL7736136 0.85 XDH (0.46) NPC1SMN1; SMN2MAPTRAB9ATP53
SCHEMBL7858147 0.85 XDH (0.46) NPC1SMN1; SMN2MAPTRAB9ATP53
Hydrochloric Acid SCHEMBL6349192 0.85 HDAC3 (0.41) FAAHCES1DAGLANPC1SMN1; SMN2
SCHEMBL7729637 0.84 METAP2 (0.41) NPC1SMN1; SMN2MAPTRAB9ATP53

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 10 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
EP-1516877-A1 Amine derivatives as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-23 EP disclosed
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2004-07-22 US disclosed
EP-1397340-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-17 EP disclosed
US-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 US disclosed
US-6576630-B1 Alkanoyl substituted benzooxazoles or naphthooxazoles AXYS PHARMACEUTICALS, INC. 2003-06-10 US disclosed
WO-2002098850-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 WO disclosed
EP-1161422-A1 AMINE DERIVATIVES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-12-12 EP disclosed
WO-2000055144-A1 AMINE DERIVATIVES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 WO 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 (3 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 FAAH 602/4885CES1 154/4885DAGLA 1772/4885
US-20030232864-A1 Novel Compounds and compositions as protease inhibitors SERPINB1, CTRL, CTSZ FAAH 479/4885CES1 272/4885DAGLA 2304/4885
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE FAAH 602/4885CES1 154/4885DAGLA 1772/4885

“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.