SCHEMBL7230948

SCHEMBL7230948

COC(=O)CCc1ccc2c(CC(NS(=O)(=O)NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)occ2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.37
CA14 Q9ULX7 3/20 0.37
CA2 P00918 1/20 0.35
CA1 P00915 1/20 0.35
CA7 P43166 1/20 0.35
PTPN1 P18031 3/20 0.35
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
AGTR1 P30556 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CTSB P07858 1/20 0.31
CTSS P25774 1/20 0.31

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
SCHEMBL6973856 0.93 CA12 (0.37) CA12CA14CA2CA1CA7
SCHEMBL7223447 0.85 ALDH1A1 (0.41) ALDH1A1MAPTNPSR1IDO1
SCHEMBL7230946 0.82 CA12 (0.38) CA12CA14CA2CA1CA7
SCHEMBL7224793 0.81 TDP1 (0.36) CA12CA14CA2CA1PTPN1
SCHEMBL7599894 0.81 PTPN1 (0.33) PTPN1ALDH1A1LMNATP53MAPT
SCHEMBL7231340 0.81 CASP1 (0.47) ALDH1A1LMNAHPGDHTTCTSB
SCHEMBL7660987 0.77 PTPN1 (0.38) CA12CA14CA2CA1CA7
SCHEMBL6978547 0.75 ALDH1A1 (0.52) ALDH1A1MAPTNPSR1IDO1
SCHEMBL6973854 0.75 CA12 (0.37) CA12CA14CA2CA1CA7
SCHEMBL6967105 0.72 CASP1 (0.50) ALDH1A1CTSBCTSSCTSK

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-6586442-B2 Benzofurane derivatives, their preparation process, their use as medicaments and the pharmaceutical compositions containing them CARNIATO DENIS (FR) 2003-07-01 US disclosed
US-20020187976-A1 New benzofurane derivatives, their preparation process, their use as medicaments and the pharmaceutical compositions containing them AVENTIS PHARMA S.A. 2002-12-12 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-20020187976-A1 New benzofurane derivatives, their preparation process, their use as medicaments and the pharmaceutical compositions containing them CYP2F1, CYP2C19, CYP2B6 CA12 4808/4885CA14 4561/4885CA2 3768/4885

“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.