SCHEMBL13208643

SCHEMBL13208643

Cc1cc(=S)c(O)c(C(C)C)o1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
GLA P06280 1/20 0.36
CYP3A4 P08684 1/20 0.36
KMT2A Q03164 1/20 0.36
CA1 P00915 2/20 0.34
CA9 Q16790 1/20 0.34
MMP3 P08254 2/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
ALOX5 P09917 1/20 0.31
CA2 P00918 1/20 0.31
BCL2 P10415 1/20 0.31
MCL1 Q07820 1/20 0.31
ANTXR2 P58335 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL8274787 0.76 IDH1 (0.46) MEN1GLACYP3A4KMT2AMMP3
SCHEMBL8270273 0.74 ALOX5 (0.45) MEN1GLACYP3A4KMT2ACA1
SCHEMBL10032701 0.69 ALOX5 (0.45) CYP3A4CA1ALOX5CA2BCL2
SCHEMBL19766982 0.67 GABRA1 (0.33) CYP3A4CA1CA2PTGS1LMNA
SCHEMBL12848863 0.67 MEN1 (0.38) MEN1GLACYP3A4KMT2ACA1
SCHEMBL19349230 0.67 MMP3 (0.51) MEN1GLACYP3A4KMT2ACA1
SCHEMBL6991694 0.63 IDH1 (0.45) MEN1GLACYP3A4KMT2AMMP3
SCHEMBL8833077 0.63 ABCB1 (0.50) MEN1CYP3A4KMT2AALOX5PTGS1
SCHEMBL21968128 0.63 ALDH1A1 (0.32) MEN1GLACYP3A4KMT2ACA2
SCHEMBL8833175 0.62 HSD17B10 (0.50) MEN1GLACYP3A4KMT2ACA1

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-7786316-B2 Metalloprotein inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-08-31 US disclosed
US-20090286987-A1 METALLOPROTEIN INHIBITORS REGENTS OF THE UNIVERSITY OF CALIFORNIA, SAN DIEGO UCSD TECHNOLOGY TRANSFER OFFICE (US) 2009-11-19 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-20090286987-A1 METALLOPROTEIN INHIBITORS SOD1, ZFX, SOD3 MEN1 1721/4885GLA 117/4885CYP3A4 1284/4885

“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.