SCHEMBL6464156

SCHEMBL6464156

N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CCc1ccccc1)C(O)c1nc2ccccc2o1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.43
CTSL P07711 3/20 0.43
CTSB P07858 2/20 0.43
MMP1 P03956 4/20 0.41
MMP2 P08253 4/20 0.41
MMP3 P08254 4/20 0.41
REN P00797 3/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
METAP2 P50579 2/20 0.38
METAP1 P53582 2/20 0.38
CTSC P53634 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
CCR1 P32246 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
SCHEMBL7109606 0.88 CTSS (0.48) CTSSCTSLCTSBMMP1MMP2
SCHEMBL7044867 0.88 CTSS (0.48) CTSSCTSLCTSBMMP1MMP2
SCHEMBL5518471 0.87 CTSS (0.40) CTSSCTSLCTSBMMP1MMP2
Hydrochloric Acid SCHEMBL5946008 0.86 CTSS (0.42) CTSSCTSLRENMETAP2METAP1
SCHEMBL7047934 0.86 CTSS (0.46) CTSSCTSLCTSBMMP1MMP2
SCHEMBL7049025 0.85 CTSS (0.64) CTSSCTSLCTSBMMP1MMP2
SCHEMBL6473321 0.85 MEN1 (0.40) CTSSCTSLCTSBMMP2LMNA
SCHEMBL6463649 0.85 MEN1 (0.40) CTSSCTSLCTSBMMP2LMNA
SCHEMBL6650104 0.84 LMNA (0.36) CTSSCTSLCTSBCTSCLMNA
SCHEMBL6650109 0.84 LMNA (0.36) CTSSCTSLCTSBCTSCLMNA

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
EP-1516877-A1 Amine derivatives as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-23 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

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-20030232864-A1 Novel Compounds and compositions as protease inhibitors SERPINB1, CTRL, CTSZ CTSS 9/4885CTSL 18/4885CTSB 11/4885

“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.