SCHEMBL4121126

SCHEMBL4121126

CC1=C(CCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)c2ccccc2C1=O

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.65
CTSS P25774 1/20 0.65
CTSK P43235 1/20 0.65
NMBR P28336 7/20 0.61
TACR3 P29371 1/20 0.60
MAPT P10636 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
TACR1 P25103 3/20 0.58
TP53 P04637 1/20 0.58
CCKAR P32238 1/20 0.55
CCKBR P32239 1/20 0.55
BCHE P06276 1/20 0.55
ACHE P22303 1/20 0.55

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
SCHEMBL13649311 0.91 CTSL (0.67) CTSLCTSSCTSKNMBRMAPT
SCHEMBL9833490 0.85 CTSL (0.76) CTSLCTSSCTSKNMBRTACR3
SCHEMBL15145404 0.84 CTSL (0.77) CTSLCTSSCTSKNMBRTACR3
SCHEMBL15145364 0.84 CTSL (0.77) CTSLCTSSCTSKNMBRTACR3
SCHEMBL17884340 0.82 CTSL (0.74) CTSLCTSSCTSKNMBRTACR3
SCHEMBL18879584 0.82 CTSL (0.74) CTSLCTSSCTSKNMBRTACR3
SCHEMBL17807348 0.82 CTSL (0.80) CTSLCTSSCTSKNMBRTACR3
SCHEMBL7521907 0.81 CTSL (0.67) CTSLCTSSCTSKNMBRTACR3
SCHEMBL7443477 0.81 CTSL (0.72) CTSLCTSSCTSKNMBRTACR3
SCHEMBL6021231 0.81 CTSL (0.84) CTSLCTSSCTSKNMBRTACR3

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-20090247472-A1 TYPE 1, 4-NAPHTOQUINONE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USE OF THESE COMPOUNDS AS ANTI-CANCER AGENTS FLUOFARMA (FR) 2009-10-01 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-20090247472-A1 TYPE 1, 4-NAPHTOQUINONE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USE OF THESE COMPOUNDS AS ANTI-CANCER AGENTS CCNA1, MKI67, CCNT1 CTSL 2778/4885CTSS 2707/4885CTSK 2168/4885

“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.