SCHEMBL4347252

SCHEMBL4347252

CCC(CC)ON(C(C1COCOC1)[C@H](O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)O)S(=O)(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
ABCB1 P08183 1/20 0.39
BMP1 P13497 2/20 0.38
HTT P42858 1/20 0.37
ALOX5 P09917 1/20 0.36
ADAMTS4 O75173 1/20 0.36
MMP2 P08253 1/20 0.36
MMP13 P45452 1/20 0.36
MMP14 P50281 1/20 0.36
ADAMTS5 Q9UNA0 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL464829 0.86 ABCB1 (0.48) MAPTABCB1BMP1HTTALOX5
SCHEMBL464754 0.82 ABCB1 (0.45) MAPTABCB1HTTMAOB
SCHEMBL464753 0.82 ABCB1 (0.45) MAPTABCB1HTTMAOB
SCHEMBL4343556 0.81 BMP1 (0.41) MAPTABCB1BMP1
SCHEMBL6619052 0.80 ABCB1 (0.43) MAPTABCB1HTT
SCHEMBL13617894 0.79 ABCB1 (0.47) ABCB1
SCHEMBL6788036 0.78 ABCB1 (0.45) ABCB1ADAMTS4MMP2MMP13MMP14
SCHEMBL4347250 0.76 MAOB (0.36) MAPTABCB1BMP1HTTALOX5
SCHEMBL4345120 0.75 ABCB1 (0.58) ABCB1ADAMTS4MMP2MMP13MMP14
SCHEMBL4345123 0.75 ABCB1 (0.58) ABCB1ADAMTS4MMP2MMP13MMP14

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-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 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 (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-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE SPINT2, DNPEP, PRSS1 MAPT 1868/4885ABCB1 628/4885BMP1 4692/4885

“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.