SCHEMBL6467288

SCHEMBL6467288

CC(C)(C)OC(=O)NCC(SCc1ccccc1)C(=O)NCC(O)(CCc1ccccc1)c1nc2ccccc2o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.38
CTSS P25774 3/20 0.37
CTSK P43235 3/20 0.37
IDO1 P14902 1/20 0.36
CYP3A4 P08684 5/20 0.36
TSHR P16473 2/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SYK P43405 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL6463256 0.90 CTSS (0.38) NPSR1CTSSCTSKCYP3A4TSHR
SCHEMBL6063233 0.89 FAAH (0.37) CYP3A4TSHRNPC1MAPTMAPK1
SCHEMBL6462136 0.89 FAAH (0.37) CYP3A4TSHRNPC1MAPTMAPK1
SCHEMBL7042868 0.85 MAPT (0.36) TSHRNPC1MAPTMAPK1RAB9A
SCHEMBL7049542 0.85 MAPT (0.40) NPSR1CTSSCTSKTSHRMAPT
SCHEMBL6468283 0.79 L3MBTL1 (0.32) CYP3A4NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL6063199 0.75 RAB9A (0.35) CTSSCYP3A4NPC1RAB9AKMT2A
SCHEMBL7044367 0.75 NPSR1 (0.36) NPSR1IDO1CYP3A4TSHRNPC1
SCHEMBL7049306 0.74 DAGLA (0.44) CYP3A4TSHRNPC1MAPTRAB9A
SCHEMBL5522238 0.74 CTSS (0.60) CTSSCTSKIDO1CTSLCTSB

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 NPSR1 1839/4885CTSS 9/4885CTSK 32/4885

“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.