SCHEMBL6651863

SCHEMBL6651863

CCC(N)[C@H](O)c1nc2ccccc2s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.60
HPGD P15428 3/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
HIF1A Q16665 1/20 0.54
HSD17B10 Q99714 1/20 0.54
GAA P10253 2/20 0.49
MAPK1 P28482 2/20 0.49
ALOX5 P09917 1/20 0.49
TSHR P16473 1/20 0.49
APEX1 P27695 1/20 0.44
UBE2T Q9NPD8 1/20 0.44
ASIC3 Q9UHC3 1/20 0.44
CASR P41180 1/20 0.43
RAB9A P51151 3/20 0.42
FBP1 P09467 1/20 0.42
PKM P14618 1/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL6651670 1.00 LOXL2 (0.60) LOXL2HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL6651861 1.00 LOXL2 (0.60) LOXL2HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL6632792 0.90 LOXL2 (0.56) LOXL2HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL7363930 0.87 LOXL2 (0.60) LOXL2HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL2839532 0.84 LOXL2 (0.64) LOXL2HPGDCYP1A2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL7347434 0.82 HPGD (0.52) LOXL2HPGDCYP1A2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL6356550 0.82 HPGD (0.52) LOXL2HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL17146483 0.82 HPGD (0.58) LOXL2HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL9991224 0.82 HPGD (0.58) LOXL2HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL7731411 0.81 HPGD (0.51) LOXL2HPGDCYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2002098850-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 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 (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-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE LOXL2 1002/4885HPGD 1645/4885CYP1A2 3406/4885

“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.