SCHEMBL5065490

SCHEMBL5065490

CC(C)CC(N)C(=O)NC(CC(=O)O)C(=O)N1CCCC1C(=O)NC(C(=O)NC(CC(=O)O)C(=O)O)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 1/20 0.48
▸ CALCRL Q16602 5/20 0.47
▸ REN P00797 2/20 0.44
▸ CMA1 P23946 1/20 0.43
▸ RAMP1 O60894 1/20 0.43
▸ SLC6A2 P23975 1/20 0.42
▸ ELANE P08246 1/20 0.42
▸ AGTR1 P30556 1/20 0.42
▸ AGTR2 P50052 1/20 0.42
▸ CAPN1 P07384 4/20 0.42
▸ CTSB P07858 1/20 0.41
▸ NTSR2 O95665 1/20 0.41
▸ NTSR1 P30989 1/20 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
SCHEMBL5065494 1.00 XIAP (0.48) XIAPCALCRLRENCMA1RAMP1
SCHEMBL29521253 0.94 CALCRL (0.49) XIAPCALCRLRENRAMP1CAPN1
SCHEMBL29630482 0.93 OPRM1 (0.46) XIAPRENCMA1SLC6A2CAPN1
SCHEMBL30335933 0.88 NTSR2 (0.47) CALCRLRENCAPN1NTSR2NTSR1
SCHEMBL30239989 0.87 XIAP (0.49) XIAPRENCAPN1NTSR2NTSR1
SCHEMBL30525434 0.85 CALCRL (0.50) XIAPCALCRLRENCMA1RAMP1
SCHEMBL31083914 0.85 ACE (0.56) REN
SCHEMBL29883844 0.85 OPRM1 (0.50) XIAPRENCMA1SLC6A2CAPN1
SCHEMBL30401176 0.84 SLC6A2 (0.49) XIAPCALCRLRENCMA1SLC6A2
SCHEMBL29351166 0.84 KMT2A (0.51) XIAPSLC6A2CAPN1CTSBNTSR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080292615-A1 DIAGNOSIS AND TREATMENT OF DISEASE MOLECULAR SKINCARE LIMITED (GB) 2008-11-27 — — US claimed

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-20080292615-A1 DIAGNOSIS AND TREATMENT OF DISEASE SERPINB1, EPCAM, DNASE1L3 XIAP 1921/4885CALCRL 1553/4885REN 3011/4885

“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.

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