SCHEMBL2003387

SCHEMBL2003387

Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)c(C(=O)O)c1

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 7/20 0.77
KDM4E B2RXH2 1/20 0.64
LMNA P02545 1/20 0.62
TP53 P04637 1/20 0.62
MAPT P10636 1/20 0.62
HTT P42858 1/20 0.62
KMT2A Q03164 1/20 0.62
CYP1A2 P05177 1/20 0.60
CYP2C9 P11712 1/20 0.60
CCR2 P41597 1/20 0.55
KDM1A O60341 1/20 0.54

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
SCHEMBL12200769 0.92 METAP2 (0.71) METAP2KDM4ELMNATP53MAPT
SCHEMBL12570805 0.91 METAP2 (0.86) METAP2LMNAHTTCYP1A2CYP2C9
SCHEMBL2009251 0.87 METAP2 (1.00) METAP2LMNAHTTCYP1A2CYP2C9
SCHEMBL13484207 0.87 LMNA (0.72) METAP2LMNATP53MAPTHTT
SCHEMBL491833 0.86 METAP2 (1.00) METAP2LMNATP53MAPTHTT
SCHEMBL7322109 0.84 METAP2 (0.73) METAP2KDM4ELMNATP53HTT
SCHEMBL23200296 0.83 MCL1 (0.66) METAP2KDM4ELMNATP53MAPT
SCHEMBL16496289 0.83 METAP2 (0.75) METAP2LMNAHTTCYP1A2CYP2C9
SCHEMBL3984413 0.83 METAP2 (1.00) METAP2KDM4E
SCHEMBL4097689 0.83 METAP2 (0.66) METAP2KDM4EKDM1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960435-B2 Anti-cancer agents and androgen inhibition activity compound UNIVERSITY OF MARYLAND, BALTIMORE (US) 2011-06-14 US disclosed
US-20100113600-A1 ANTI-CANCER AGENTS AND ANDROGEN INHIBITION ACTIVITY COMPOUND UNIVERSITY OF MARYLAND, BALTIMORE (US) 2010-05-06 US disclosed
WO-2008076918-A9 ANTI-CANCER AGENTS AND ANDROGEN INHIBITION ACTIVITY COMPOUND UNIV MARYLAND (US) 2008-08-07 WO disclosed
WO-2008076918-A2 ANTI-CANCER AGENTS AND ANDROGEN INHIBITION ACTIVITY COMPOUND UNIVERSITY OF MARYLAND, BALTIMORE (US) 2008-06-26 WO 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-20100113600-A1 ANTI-CANCER AGENTS AND ANDROGEN INHIBITION ACTIVITY COMPOUND AR, HTR3D, NR5A1 METAP2 3615/4885KDM4E 2138/4885LMNA 4528/4885

“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.