SCHEMBL12880640

SCHEMBL12880640

CC(C)(C)OC(=O)NCC(=O)CCNCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.50
IDO1 P14902 1/20 0.47
CTSK P43235 3/20 0.47
NAMPT P43490 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MAPT P10636 1/20 0.45
CTSS P25774 1/20 0.45
CA1 P00915 2/20 0.43
CA12 O43570 1/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
MMP8 P22894 1/20 0.43
CA2 P00918 1/20 0.43
SYK P43405 1/20 0.43
ATM Q13315 1/20 0.43
POLB P06746 1/20 0.42
AKT1 P31749 2/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 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
SCHEMBL8399561 0.85 IDO1 (0.55) SIGMAR1IDO1CTSKNAMPTNPC1
SCHEMBL572740 0.82 IDO1 (0.60) SIGMAR1IDO1CTSKNAMPTNPC1
SCHEMBL13192909 0.82 NPSR1 (0.55) SIGMAR1IDO1CTSKNAMPTCA1
SCHEMBL4898925 0.82 NPSR1 (0.55) SIGMAR1IDO1CTSKNAMPTCA1
SCHEMBL8573380 0.81 SIGMAR1 (0.54) SIGMAR1IDO1CTSKNAMPTNPC1
SCHEMBL2345111 0.81 CTSK (0.44) SIGMAR1IDO1CTSKCTSSSYK
SCHEMBL7141839 0.81 CA12 (0.50) SIGMAR1CTSKNPC1RAB9AMAPT
SCHEMBL4707263 0.79 SYK (0.52) SIGMAR1IDO1CTSKCTSSCA1
SCHEMBL13613756 0.78 HTT (0.48) IDO1CTSKMAPTCTSSSYK
SCHEMBL25048413 0.77 CA1 (0.60) SIGMAR1IDO1CTSKNAMPTNPC1

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-20110040087-A1 PEPTIDE TURN MIMETICS MIMETICA PTY LTD. (AU) 2011-02-17 US disclosed
US-20090275727-A1 Peptide turn mimetics MIMETICA PTY LIMITED (AU) 2009-11-05 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 (2 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-20090275727-A1 Peptide turn mimetics IAPP, GLP1R, VIP SIGMAR1 4359/4885IDO1 2466/4885CTSK 1231/4885
US-20110040087-A1 PEPTIDE TURN MIMETICS VIP, IAPP, SCTR SIGMAR1 1460/4885IDO1 2875/4885CTSK 1905/4885

“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.