SCHEMBL6326089

SCHEMBL6326089

C[C@H](CS)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
CASP3 P42574 4/20 0.53
EPHX2 P34913 1/20 0.50
MDM4 O15151 2/20 0.47
TP53 P04637 2/20 0.47
PIN1 Q13526 1/20 0.45

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
SCHEMBL20912321 1.00 KMT2A (0.53) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL12292171 0.88 KMT2A (0.54) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL31520526 0.88 KMT2A (0.54) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL12714718 0.88 KMT2A (0.54) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL29400279 0.88 KMT2A (0.54) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL12644487 0.88 KMT2A (0.54) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL29401663 0.88 KMT2A (0.54) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL19426813 0.86 KMT2A (0.60) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL31135499 0.86 KMT2A (0.60) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL30293175 0.86 KMT2A (0.60) KMT2ACASP3EPHX2MDM4TP53

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
US-20050014840-A1 Thiol sulfonamide metalloprotease inhibitors PHARMACIA CORPORATION 2005-01-20 US disclosed
US-6747027-B1 SELECTIVELY INHIBITS IN VITRO ACTIVITY OF HUMAN MATRIX METALLOPROTEASE-13 OVER IN VITRO ACTIVITY OF HUMAN MATRIX METALLOPROTEASE-1 PHARMACIA CORPORATION 2004-06-08 US disclosed
EP-0939629-A4 THIOL SULFONAMIDE METALLOPROTEASE INHIBITORS MONSANTO CO (US) 2002-07-17 EP disclosed
EP-0939629-A1 THIOL SULFONAMIDE METALLOPROTEASE INHIBITORS MONSANTO COMPANY (US) 1999-09-08 EP disclosed
WO-1998003166-A1 THIOL SULFONAMIDE METALLOPROTEASE INHIBITORS MONSANTO COMPANY (US) 1998-01-29 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-20050014840-A1 Thiol sulfonamide metalloprotease inhibitors MMP12, MMP13, MMP3 KMT2A 1531/4885CASP3 384/4885EPHX2 1499/4885

“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.