SCHEMBL8027320

SCHEMBL8027320

CCC(C(=O)O)N1Cc2sc(-c3ccc(Oc4ccccc4)cc3)cc2S1(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.38
MMP1 P03956 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPRA P18433 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
ADAM17 P78536 1/20 0.38
ACACA Q13085 4/20 0.36
ACACB O00763 3/20 0.36
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
NPY5R Q15761 1/20 0.35
TP53 P04637 2/20 0.35
MAPT P10636 2/20 0.35
PTGS1 P23219 1/20 0.34
MGLL Q99685 1/20 0.34
MCL1 Q07820 1/20 0.34

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
SCHEMBL8027572 0.99 MMP1 (0.39) S1PR1MMP1PTPN1PTPRAMMP2
SCHEMBL8027488 0.93 PPARG (0.41) S1PR1MMP1PTPN1PTPRAMMP9
SCHEMBL13786795 0.90 MAPT (0.39) MMP1MMP2MMP9TP53MAPT
SCHEMBL8029044 0.90 PGR (0.43) NPY5RMCL1
SCHEMBL8025882 0.89 MMP1 (0.37) MMP1MMP2MMP9TP53MAPT
SCHEMBL13786684 0.87 ALDH1A1 (0.34) TP53MAPTPTGS1
SCHEMBL13786778 0.86 ALKBH1 (0.35) S1PR1MMP1MMP2MMP9ADAM17
SCHEMBL13786691 0.86 MAPT (0.33) MMP1PTPN1MMP2MMP9TP53
SCHEMBL8018468 0.85 MAPT (0.37) PTPN1TP53MAPT
SCHEMBL8025974 0.85 MMP1 (0.35) MMP1MMP2MMP9TP53MAPT

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-20090192154-A1 SULTAM DERIVATIVES ASAHI KASEI PHARMA CORPORATION (JP) 2009-07-30 US disclosed
US-20090192154-A1 SULTAM DERIVATIVES ASAHI KASEI PHARMA CORPORATION (JP) 2009-07-30 US disclosed
WO-2009084501-A1 SULTAM DERIVATIVE ASAHI KASEI PHARMA CORPORATION (JP) 2009-07-09 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-20090192154-A1 SULTAM DERIVATIVES SULT1A1, SULT2A1, ADAMTS1 S1PR1 3507/4885MMP1 13/4885PTPN1 3392/4885

“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.