SCHEMBL6326181

SCHEMBL6326181

C[C@H](CO)NS(=O)(=O)c1ccc(-c2ccccn2)s1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 1/20 0.51
RXFP1 Q9HBX9 1/20 0.50
HPGD P15428 1/20 0.49
F2 P00734 1/20 0.48
CAPN1 P07384 5/20 0.48
MMP13 P45452 1/20 0.48
CNKSR1 Q969H4 2/20 0.47
PKM P14618 2/20 0.45
KDM4E B2RXH2 2/20 0.44
ALOX5AP P20292 1/20 0.44
FEN1 P39748 1/20 0.44
NPC1 O15118 1/20 0.44
GLA P06280 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
GHSR Q92847 2/20 0.43

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
SCHEMBL7909167 0.85 PFKFB3 (0.56) PFKFB3RXFP1HPGDF2CAPN1
SCHEMBL7064175 0.80 PFKFB3 (0.52) PFKFB3RXFP1F2CAPN1MMP13
SCHEMBL29103412 0.80 RXFP1 (0.53) PFKFB3RXFP1HPGDF2CAPN1
SCHEMBL27181279 0.80 RXFP1 (0.53) PFKFB3RXFP1HPGDF2CAPN1
SCHEMBL6326184 0.80 PFKFB3 (0.54) PFKFB3RXFP1F2CAPN1CNKSR1
SCHEMBL27181275 0.80 RXFP1 (0.53) PFKFB3RXFP1HPGDF2CAPN1
SCHEMBL8213512 0.78 RXFP1 (0.59) PFKFB3RXFP1CAPN1MMP13CNKSR1
SCHEMBL14822899 0.78 PFKFB3 (0.52) PFKFB3RXFP1HPGDF2CAPN1
SCHEMBL13892314 0.78 RXFP1 (0.55) PFKFB3RXFP1CAPN1MMP13CNKSR1
SCHEMBL6329666 0.77 PKM (0.55) PFKFB3RXFP1F2CAPN1PKM

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-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

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 PFKFB3 4076/4885RXFP1 3801/4885HPGD 420/4885

“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.