SCHEMBL3919984

SCHEMBL3919984

CCCC(OC(C)=O)S(C)(=O)=O.c1cc2ccc1-2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP12 P39900 1/20 0.38
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CA1 P00915 4/20 0.33
CA2 P00918 4/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 1/20 0.33
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TP53 P04637 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
PTGS2 P35354 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
SCHEMBL3919696 0.75 LMNA (0.48) MMP2MMP9MMP12NPC1RAB9A
SCHEMBL7979525 0.74 TSHR (0.39) ALDH1A1LMNASMN1; SMN2HSD17B10
SCHEMBL3920148 0.71 MMP2 (0.41) MMP2MMP9PPARGPPARANPC1
SCHEMBL14325052 0.70 CPB2 (0.32)
SCHEMBL19395878 0.69 TSHR (0.34) SMN1; SMN2
SCHEMBL19395884 0.68
SCHEMBL5583887 0.67 CYP1A2 (0.40) MMP2MMP9PPARGPPARANPC1
SCHEMBL19395873 0.63
SCHEMBL4838071 0.63 TSHR (0.43) ALDH1A1CYP3A4LMNAKMT2AHDAC1
SCHEMBL190306 0.63 TSHR (0.43) ALDH1A1CYP3A4LMNAHDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084448-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-20090181928-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-07-16 US disclosed
EP-2038267-A2 THIADIAZOLIDINONE INHIBITORS OF PTPASE Novartis AG (CH) 2009-03-25 EP disclosed
WO-2007115058-A2 THIADIAZOLIDINONE INHIBITORS OF PTPASE NOVARTIS AG (CH) 2007-10-11 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-20090181928-A1 ORGANIC COMPOUNDS PTPRS, PTPRO, PTPRC MMP2 897/4885MMP9 2093/4885MMP12 365/4885

“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.