SCHEMBL5898328

SCHEMBL5898328

COc1ccc(C(=O)[C@H](C)NC(=O)OCc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.60
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
ACHE P22303 1/20 0.55
ALDH1A1 P00352 2/20 0.54
CTSK P43235 7/20 0.53
CTSL P07711 3/20 0.53
CTSS P25774 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
CYP3A4 P08684 2/20 0.52
TSHR P16473 1/20 0.52
TP53 P04637 1/20 0.52
CTSB P07858 1/20 0.51
ELANE P08246 2/20 0.50
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
KMT2A Q03164 1/20 0.49
PLAU P00749 1/20 0.49

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
SCHEMBL5898129 0.90 CTSK (0.59) CTSKCTSLCTSSNPC1RAB9A
SCHEMBL5325045 0.90 CTSK (0.59) CTSKCTSLCTSSNPC1RAB9A
SCHEMBL5325046 0.90 CTSK (0.59) CTSKCTSLCTSSNPC1RAB9A
SCHEMBL1644719 0.86 TP53 (0.53) ATMCTSKCTSLCTSSNPC1
SCHEMBL3483760 0.86 TP53 (0.53) ATMCTSKCTSLCTSSNPC1
SCHEMBL3487855 0.86 TP53 (0.53) ATMCTSKCTSLCTSSNPC1
SCHEMBL10425602 0.86 ATM (0.62) ATMCA1CA2ACHEALDH1A1
SCHEMBL3248431 0.85 ATM (0.76) ATMCA1CA2ACHEALDH1A1
SCHEMBL3248429 0.85 ATM (0.76) ATMCA1CA2ACHEALDH1A1
SCHEMBL4870019 0.84 CTSK (0.50) ATMALDH1A1CTSKCTSLCTSS

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
US-7026515-B2 Optically active amine derivatives and preparation process therefor MITSUI CHEMICALS, INC. (JP) 2006-04-11 US disclosed
US-20040030144-A1 Optically active amine derivative and method of synthesis MITSUI CHEMICALS, INC. (JP) 2004-02-12 US disclosed
EP-1340743-A1 OPTICALLY ACTIVE AMINE DERIVATIVE AND METHOD OF SYNTHESIS Mitsui Chemicals, Inc. (JP) 2003-09-03 EP 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-20040030144-A1 Optically active amine derivative and method of synthesis ALDH7A1, AADAT, KMO ATM 2722/4885CA1 3690/4885CA2 2752/4885

“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.