SCHEMBL6630495

SCHEMBL6630495

CCC[C@H](NC(=O)[C@H](CS(=O)(=O)Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)c1nc2ccccc2o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
ATM Q13315 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
XBP1 P17861 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
BACE1 P56817 7/20 0.40
REN P00797 3/20 0.40
CTSK P43235 3/20 0.39
CTSS P25774 1/20 0.38
MMP13 P45452 1/20 0.38

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
SCHEMBL6630490 1.00 MAPT (0.42) MAPTATMMEN1KMT2AALDH1A1
SCHEMBL6697796 1.00 MAPT (0.42) MAPTATMMEN1KMT2AALDH1A1
SCHEMBL6630492 1.00 MAPT (0.42) MAPTATMMEN1KMT2AALDH1A1
SCHEMBL6651056 1.00 MAPT (0.42) MAPTATMMEN1KMT2AALDH1A1
SCHEMBL6628340 0.88 ACACB (0.36) MEN1KMT2ABACE1RENCTSK
SCHEMBL6628343 0.88 ACACB (0.36) MEN1KMT2ABACE1RENCTSK
SCHEMBL6627857 0.88 ACACB (0.36) MEN1KMT2ABACE1RENCTSK
SCHEMBL6632213 0.86 PTPN1 (0.37) MAPTALDH1A1HPGDCTSKCTSS
SCHEMBL6062714 0.86 PTPN1 (0.37) MAPTALDH1A1HPGDCTSKCTSS
SCHEMBL6062706 0.86 PTPN1 (0.37) MAPTALDH1A1HPGDCTSKCTSS

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
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2004-07-22 US claimed
EP-1397340-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-17 EP claimed
WO-2002098850-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 WO claimed
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 MAPT 2065/4885ATM 3869/4885MEN1 4485/4885

“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.