SCHEMBL2009251

SCHEMBL2009251

Cc1ccc(NS(=O)(=O)c2ccccc2)c(C(=O)O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 7/20 1.00
CYP1A2 P05177 1/20 0.68
CYP2C9 P11712 1/20 0.68
MCL1 Q07820 5/20 0.67
ALDH1A1 P00352 2/20 0.60
HPGD P15428 1/20 0.60
HSD17B10 Q99714 1/20 0.60
BCL2A1 Q16548 2/20 0.59
CCR2 P41597 1/20 0.58
HTT P42858 2/20 0.57
GAA P10253 1/20 0.57
LMNA P02545 1/20 0.57

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
SCHEMBL12570805 0.92 METAP2 (0.86) METAP2CYP1A2CYP2C9MCL1CCR2
SCHEMBL12200971 0.88 METAP2 (0.79) METAP2CYP1A2CYP2C9MCL1ALDH1A1
SCHEMBL491833 0.87 METAP2 (1.00) METAP2CYP1A2CYP2C9ALDH1A1CCR2
SCHEMBL2003387 0.87 METAP2 (0.77) METAP2CYP1A2CYP2C9CCR2HTT
SCHEMBL7322109 0.85 METAP2 (0.73) METAP2CYP1A2CYP2C9ALDH1A1HPGD
SCHEMBL16495860 0.84 METAP2 (0.73) METAP2MCL1BCL2A1
SCHEMBL16496289 0.84 METAP2 (0.75) METAP2CYP1A2CYP2C9MCL1HTT
SCHEMBL1688339 0.83 METAP2 (0.71) METAP2CYP1A2CYP2C9MCL1ALDH1A1
SCHEMBL12220857 0.83 LMNA (0.81) METAP2CYP1A2CYP2C9MCL1ALDH1A1
SCHEMBL6417385 0.82 MEN1 (0.72) METAP2MCL1ALDH1A1HPGDHSD17B10

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 21 patents — showing the first 20. 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 claimed
US-20100113600-A1 ANTI-CANCER AGENTS AND ANDROGEN INHIBITION ACTIVITY COMPOUND UNIVERSITY OF MARYLAND, BALTIMORE (US) 2010-05-06 US claimed
WO-2008076918-A9 ANTI-CANCER AGENTS AND ANDROGEN INHIBITION ACTIVITY COMPOUND UNIV MARYLAND (US) 2008-08-07 WO claimed
WO-2008076918-A2 ANTI-CANCER AGENTS AND ANDROGEN INHIBITION ACTIVITY COMPOUND UNIVERSITY OF MARYLAND, BALTIMORE (US) 2008-06-26 WO claimed
US-20120010290-A1 Methods of Treating an Overweight or Obese Subject ZAFGEN, INC. 2012-01-12 US disclosed
US-20120010290-A1 Methods of Treating an Overweight or Obese Subject ZAFGEN, INC. 2012-01-12 US disclosed
EP-1385820-B1 ANTHRANILIC ACID AMIDES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS ANTIARRHYTHMIA AGENTS, AND PHARMACEUTICAL PREPARATIONS THEREOF SANOFI AVENTIS DEUTSCHLAND (DE) 2011-10-12 EP disclosed
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
US-7332608-B2 Anthranilamides and methods of their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-02-19 US disclosed
CN-101031541-A 4-aminomethyl benzamidine derivatives and their use as factor VIIIa inhibitors HOFFMANN LA ROCHE (CH) 2007-09-05 CN disclosed
US-7235690-B2 Anthranilamides and methods of their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-06-26 US disclosed
US-7235690-B2 Anthranilamides and methods of their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-06-26 US disclosed
EP-1791810-A1 4-AMINOMETHYL BENZAMIDINE DERIVATIVES AND THEIR USE AS FACTOR VIIA INHIBITORS F. Hoffmann-Roche AG (CH) 2007-06-06 EP disclosed
US-20070117807-A1 ANTHRANILAMIDES AND METHODS OF THEIR USE SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-05-24 US disclosed
US-20070117807-A1 ANTHRANILAMIDES AND METHODS OF THEIR USE SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-05-24 US disclosed
US-20060116410-A1 4-Aminomethyl benzamidine derivatives HOFFMANN-LA ROCHE INC. 2006-06-01 US disclosed
WO-2006027135-A1 4-AMINOMETHYL BENZAMIDINE DERIVATIVES AND THEIR USE AS FACTOR VIIIA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-16 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 (4 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 3615/4885CYP1A2 1914/4885CYP2C9 1517/4885
US-20070117807-A1 ANTHRANILAMIDES AND METHODS OF THEIR USE KCNH1, KCNH2, KCNJ2 METAP2 4099/4885CYP1A2 318/4885CYP2C9 1109/4885
US-20120010290-A1 Methods of Treating an Overweight or Obese Subject METAP2, METAP1, ACER2 METAP2 1/4885CYP1A2 156/4885CYP2C9 1398/4885
US-20060116410-A1 4-Aminomethyl benzamidine derivatives F7, HABP2, F12 METAP2 275/4885CYP1A2 288/4885CYP2C9 75/4885

“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.