SCHEMBL5723286

SCHEMBL5723286

O=C(NN(Cc1cc(F)ccc1F)S(=O)(=O)c1cccs1)[C@@H]1C[C@@H](SC(c2ccccc2)(c2ccccc2)c2ccccc2)CN1S(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.40
ACE P12821 1/20 0.40
ECE1 P42892 1/20 0.40
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
PTGER3 P43115 1/20 0.37
TRPA1 O75762 13/20 0.37
CCR4 P51679 2/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL5723396 0.91 ECE1 (0.45) MMEACEECE1LMNAHPGD
SCHEMBL5722919 0.87 MME (0.43) MMEACEECE1LMNAHPGD
SCHEMBL5723096 0.81 TRPA1 (0.43) MMEACEECE1LMNAHPGD
SCHEMBL5723670 0.77 MME (0.46) MMEACEECE1
SCHEMBL5723003 0.75 ECE1 (0.69) MMEACEECE1LMNAHPGD
SCHEMBL5723228 0.75 MME (0.47) MMEACEECE1LMNAHPGD
SCHEMBL5723986 0.75 MME (0.47) MMEACEECE1LMNAHPGD
SCHEMBL5402095 0.74 AKR1C3 (0.47) MMEACEECE1LMNAHPGD
SCHEMBL6978080 0.74 AKR1C3 (0.47) MMEACEECE1LMNAHPGD
SCHEMBL5723176 0.73 ECE1 (0.52) MMEACEECE1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1317428-B1 PYRROLIDINE-2-CARBOXYLIC ACID HYDRAZIDE DERIVATIVES FOR USE AS METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2006-04-19 EP disclosed
EP-1317428-A1 PYRROLIDINE-2-CARBOXYLIC ACID HYDRAZIDE DERIVATIVES FOR USE AS METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-06-11 EP disclosed
US-6444829-B1 (2S,4R)-4-MERCAPTO-1-(NAPHTHALENE-2-SULFONYL)-PYRROLIDINE-2 -CARBOXYLIC ACID N'-ISOBUTYL-N'-(4-METHYL-BENZENESULFONYL)-HYDRAZIDE, FOR EXAMPLE; INHIBITORS OF METALLOPROTEASES, E.G. ZINC PROTEASES; VASODILATORS HOFFMANN-LA ROCHE INC. 2002-09-03 US disclosed
US-20020040048-A1 PYRROLIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2002-04-04 US disclosed
WO-2002006224-A1 PYRROLIDINE-2-CARBOXYLIC ACID HYDRAZIDE DERIVATIVES FOR USE AS METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-24 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-20020040048-A1 PYRROLIDINE COMPOUNDS PREP, PEPD, MMP3 MME 56/4885ACE 33/4885ECE1 5/4885

“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.