SCHEMBL6655677

SCHEMBL6655677

CCOC(=O)C(Cc1ccc(SC)cc1)C(C)=O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.48
SLC6A4 P31645 14/20 0.45
ACACB O00763 1/20 0.44
MAOA P21397 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL24129410 0.92 MMP8 (0.51) MMP8SLC6A4MAOASLC6A2SLC6A3
SCHEMBL19249372 0.84 MMP8 (0.45) MMP8SLC6A4ACACBALDH1A1TSHR
SCHEMBL5326604 0.84 MMP8 (0.53) MMP8ACACBALDH1A1LMNATSHR
SCHEMBL2050344 0.84 MMP8 (0.53) MMP8ACACBALDH1A1TSHR
SCHEMBL9471326 0.83 MMP8 (0.44) MMP8SLC6A4MAOASLC6A2SLC6A3
SCHEMBL7696784 0.83 ESR1 (0.51) MMP8SLC6A2ALDH1A1
SCHEMBL901733 0.81 EPHX2 (0.50) MMP8ACACBKDM4EALDH1A1LMNA
SCHEMBL2426124 0.81 MMP8 (0.54) MMP8ACACBALDH1A1LMNA
SCHEMBL2429506 0.81 PPARG (0.50) MMP8KDM4EALDH1A1LMNA
SCHEMBL3764833 0.81 MMP8 (0.50) MMP8ALDH1A1TSHR

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-20230036933-A1 HETEROCYCLIC INHIBITORS OF ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2023-02-02 US disclosed
WO-2021257614-A1 HETEROCYCLIC INHIBITORS OF ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2021-12-23 WO disclosed
EP-1432720-A1 O-PYRAZOLE GLUCOSIDE SGLT2 INHIBITORS AND METHOD OF USE Bristol-Myers Squibb Company (US) 2004-06-30 EP disclosed
US-20030087843-A1 O-pyrazole glucoside SGLT2 inhibitors and method of use BRISTOL-MYERS SQUIBB COMPANY 2003-05-08 US disclosed
WO-2003020737-A1 O-PYRAZOLE GLUCOSIDE SGLT2 INHIBITORS AND METHOD OF USE BRISTOL-MYERS SQUIBB COMPANY (US) 2003-03-13 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 (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-20230036933-A1 HETEROCYCLIC INHIBITORS OF ENPP1 ENPP1, ENPP3, ENPP2 MMP8 791/4885SLC6A4 3835/4885ACACB 892/4885
US-20030087843-A1 O-pyrazole glucoside SGLT2 inhibitors and method of use SLC5A2, SLC5A1, SLC2A1 MMP8 4196/4885SLC6A4 155/4885ACACB 1430/4885

“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.