SCHEMBL6484842

SCHEMBL6484842

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccccc1C(CI)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.47
CTSB P07858 4/20 0.47
CTSS P25774 3/20 0.47
CTSK P43235 3/20 0.47
ELANE P08246 3/20 0.44
CASP3 P42574 3/20 0.43
CA2 P00918 2/20 0.43
CASP1 P29466 2/20 0.43
CASP7 P55210 2/20 0.43
CASP6 P55212 2/20 0.43
CASP8 Q14790 2/20 0.43
PRTN3 P24158 1/20 0.43
CA1 P00915 1/20 0.43
ACHE P22303 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CASP9 P55211 1/20 0.43
ECE1 P42892 2/20 0.43
CA5A P35218 1/20 0.43
MME P08473 1/20 0.43

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
SCHEMBL3726928 0.78 CTSL (0.47) CTSLCTSBCTSSCTSKELANE
SCHEMBL13077574 0.78 CTSL (0.47) CTSLCTSBCTSSCTSKELANE
SCHEMBL3733666 0.78 CTSB (0.51) CTSLCTSBCTSSCTSKELANE
SCHEMBL2150884 0.78 CTSB (0.58) CTSLCTSBCTSSCTSKELANE
SCHEMBL2150881 0.78 CTSB (0.58) CTSLCTSBCTSSCTSKELANE
SCHEMBL22685692 0.78 CTSB (0.58) CTSLCTSBCTSSCTSKELANE
SCHEMBL220569 0.77 CTSL (0.63) CTSLCTSBCTSSCTSKELANE
SCHEMBL2978398 0.77 CTSL (0.63) CTSLCTSBCTSSCTSKELANE
SCHEMBL1287168 0.77 CTSL (0.63) CTSLCTSBCTSSCTSKELANE
SCHEMBL8671882 0.77 CTSL (0.63) CTSLCTSBCTSSCTSKELANE

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-6974802-B2 Treatment of viral infections using prodrugs of 2′,3-dideoxy,3′-fluoroguanosine MEDIVIR AB (SE) 2005-12-13 US disclosed
US-20030186924-A1 Prodrugs MEDIVIR AB 2003-10-02 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-20030186924-A1 Prodrugs HAVCR2, CYP7A1, IGSF11 CTSL 483/4885CTSB 1674/4885CTSS 1913/4885

“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.