SCHEMBL5386729

SCHEMBL5386729

CSCCC(NC(=O)OCc1ccccc1)C(=O)NC1CC2CN(C(=O)OC(C)(C)C)CC2C1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 2/20 0.53
KLK7 P49862 2/20 0.49
CA1 P00915 1/20 0.47
CTSK P43235 7/20 0.46
CTSL P07711 6/20 0.46
CTSS P25774 2/20 0.46
CTSB P07858 2/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
P2RX7 Q99572 4/20 0.43
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL14337550 0.84 MAPT (0.51) KLK5CTSKCTSLCTSSCTSB
SCHEMBL10450036 0.83 HSD11B1 (0.52) CA1CTSKCTSLCTSBL3MBTL1
SCHEMBL10320596 0.83 HSD11B1 (0.52) CA1CTSKCTSLCTSBL3MBTL1
SCHEMBL27345269 0.83 HSD11B1 (0.52) CA1CTSKCTSLCTSBL3MBTL1
SCHEMBL19716705 0.82 KLK5 (0.57) KLK5KLK7CTSKCTSSL3MBTL1
SCHEMBL16011173 0.82 KLK5 (0.57) KLK5KLK7CTSKCTSSL3MBTL1
SCHEMBL30889534 0.81 KLK5 (0.53) KLK5KLK7CA1CTSKCTSL
SCHEMBL3743386 0.81 KLK5 (0.52) KLK5KLK7CA1CTSKCTSL
SCHEMBL3743382 0.81 KLK5 (0.52) KLK5KLK7CA1CTSKCTSL
SCHEMBL1841225 0.79 KLK5 (0.52) KLK5KLK7CA1CTSKCTSL

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-7288563-B2 Substituted bicycloalkylamine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-10-30 US disclosed
US-20050192276-A1 Substituted bicycloalkylamine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-09-01 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-20050192276-A1 Substituted bicycloalkylamine derivatives as modulators of chemokine receptor activity CCR1, CCR2, BDKRB1 KLK5 2952/4885KLK7 2387/4885CA1 2818/4885

“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.