SCHEMBL13626169

SCHEMBL13626169

CCC(=O)NC(C(=O)NC(C)(C)C)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.38
POLB P06746 1/20 0.37
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
TRPA1 O75762 1/20 0.36
MMP2 P08253 2/20 0.33
MMP3 P08254 1/20 0.33
BIRC2 Q13490 1/20 0.33
PSMB5 P28074 1/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL8628508 1.00 CYP2C9 (0.38) CYP2C9POLBCTSSCTSKTRPA1
SCHEMBL10827228 0.80 FAAH (0.56) ALDH1A1
SCHEMBL19318580 0.79 POLB (0.41) POLBCTSSCTSKTRPA1MMP2
SCHEMBL19318533 0.79 POLB (0.41) POLBCTSSCTSKTRPA1MMP2
SCHEMBL2757967 0.79 POLB (0.41) POLBCTSSCTSKTRPA1MMP3
SCHEMBL16360269 0.79 CYP2C9 (0.42) CYP2C9MMP2MMP3ALDH1A1
SCHEMBL21579982 0.77 PSENEN (0.39) CYP2C9CTSSCTSK
SCHEMBL13611899 0.77 POLB (0.39) POLBCTSSCTSKTRPA1
SCHEMBL10067158 0.77 CYP2C9 (0.41) CYP2C9CTSSCTSKALDH1A1
SCHEMBL13758669 0.77 CYP2C9 (0.41) CYP2C9POLBCTSSCTSKALDH1A1

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-20090291998-A1 EPONEMYCIN AND EPOXOMICIN ANALOGS AND USES THEREOF EISAI R&D MANAGEMENT CO., LTD. 2009-11-26 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-20090291998-A1 EPONEMYCIN AND EPOXOMICIN ANALOGS AND USES THEREOF PSMC4, PSMB6, EPOR CYP2C9 3222/4885POLB 2096/4885CTSS 1097/4885

“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.