SCHEMBL13612447

SCHEMBL13612447

CC(NS(=O)(=O)[Cr])C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 1/20 0.43
HTT P42858 1/20 0.42
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP7 P09237 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
CA14 Q9ULX7 2/20 0.38
TP53 P04637 1/20 0.35
CA2 P00918 4/20 0.34
CA1 P00915 3/20 0.34
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RAB9A P51151 1/20 0.31
MME P08473 1/20 0.31
ACE P12821 1/20 0.31
CPA1 P15085 1/20 0.31
ACE2 Q9BYF1 1/20 0.31

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
SCHEMBL725182 0.82 ADAMTS4 (0.44) ADAMTS4HTTMMP1MMP2MMP3
SCHEMBL29633569 0.82 ADAMTS4 (0.44) ADAMTS4HTTMMP1MMP2MMP3
SCHEMBL5148621 0.82 ADAMTS4 (0.44) ADAMTS4HTTMMP1MMP2MMP3
SCHEMBL30464710 0.80 ADAMTS4 (0.43) ADAMTS4HTTMMP1MMP2MMP3
Water SCHEMBL31419522 0.80 ADAMTS4 (0.43) ADAMTS4HTTMMP1MMP2MMP3
Water SCHEMBL30998789 0.80 ADAMTS4 (0.43) ADAMTS4HTTMMP1MMP2MMP3
SCHEMBL30679200 0.80 ADAMTS4 (0.43) ADAMTS4HTTMMP1MMP2MMP3
SCHEMBL8830384 0.78 ADAMTS4 (0.42) ADAMTS4HTTMMP1MMP2MMP3
SCHEMBL18047580 0.77 ADAMTS4 (0.44) ADAMTS4HTTMMP1MMP2MMP3
SCHEMBL697449 0.77 ADAMTS4 (0.44) ADAMTS4HTTMMP1MMP2MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230011118-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED 2023-01-12 US disclosed
WO-2021252859-A1 INHIBITORS OF APOL1 AND USE OF THE SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-12-16 WO disclosed
US-20090292129-A1 PROCESS FOR RESOLVING RACEMIC MIXTURES AND A DIASTEREOISOMERIC COMPLEX OF A RESOLVING AGENT AND AN ENANTIOMER OF INTEREST ABIOGEN PHARMA S.P.A. (IT) 2009-11-26 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 (2 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-20230011118-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME APOL1, APOB, SAAL1 ADAMTS4 2574/4885HTT 2086/4885MMP1 1144/4885
US-20090292129-A1 PROCESS FOR RESOLVING RACEMIC MIXTURES AND A DIASTEREOISOMERIC COMPLEX OF A RESOLVING AGENT AND AN ENANTIOMER OF INTEREST SRR, EPHX2, ALOX5 ADAMTS4 2656/4885HTT 4741/4885MMP1 2905/4885

“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.