SCHEMBL6930254

SCHEMBL6930254

CC(C)(C)OC(=O)C1(C(N)Cc2ccccc2)CO1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.44
ALPI P09923 1/20 0.43
PKM P14618 1/20 0.43
PTGS1 P23219 1/20 0.43
XIAP P98170 1/20 0.43
ATM Q13315 1/20 0.41
CTSS P25774 2/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSK P43235 1/20 0.39
SLC15A1 P46059 1/20 0.38
HDAC8 Q9BY41 2/20 0.38
ITGA4 P13612 1/20 0.38
ITGB7 P26010 1/20 0.38
ACE P12821 1/20 0.38
MLYCD O95822 1/20 0.38
SRR Q9GZT4 1/20 0.37
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37

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
SCHEMBL6570741 0.74 ATM (0.47) PKMATMCTSSCTSLCTSB
SCHEMBL314142 0.74 SLC7A5 (0.58) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL1221379 0.74 SLC7A5 (0.58) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL594132 0.74 SLC7A5 (0.58) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL8710583 0.73 ATM (0.44) SLC7A5PKMATMCTSSCTSL
Acetic Acid SCHEMBL7710564 0.73 SLC7A5 (0.56) SLC7A5ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL594131 0.73 SLC7A5 (0.56) SLC7A5ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL18321716 0.73 SLC7A5 (0.56) SLC7A5ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL237074 0.73 SLC7A5 (0.56) SLC7A5ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL237073 0.73 SLC7A5 (0.56) SLC7A5ALPIPKMPTGS1XIAP

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-20040106810-A1 Process for the preparation of protected 1-(1-aminoakyl)-oxiranes CLARIANT LIFE SCIENCE MOLECULES (ITALIA) S.P.A. (IT) 2004-06-03 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-20040106810-A1 Process for the preparation of protected 1-(1-aminoakyl)-oxiranes KMO, KHK, PKLR SLC7A5 961/4885ALPI 3667/4885PKM 53/4885

“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.