SCHEMBL8027488

SCHEMBL8027488

CCC(C(=O)O)N1Cc2sc(-c3ccc(COc4ccc(Oc5ccccc5)cc4)cc3)cc2S1(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.41
PPARD Q03181 2/20 0.41
PPARA Q07869 2/20 0.41
ADAMTS4 O75173 1/20 0.41
FFAR1 O14842 5/20 0.40
ACACB O00763 1/20 0.40
NR4A2 P43354 1/20 0.39
FFAR4 Q5NUL3 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39
PTPN1 P18031 1/20 0.38
PTPRA P18433 1/20 0.38
ADAM17 P78536 2/20 0.38
MCL1 Q07820 1/20 0.38
MMP9 P14780 1/20 0.38
MMP1 P03956 1/20 0.37
ACACA Q13085 1/20 0.37
STK17B O94768 1/20 0.36
S1PR1 P21453 2/20 0.36

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
SCHEMBL8017413 0.95 NR4A2 (0.44) PPARGPPARDPPARAADAMTS4ACACB
SCHEMBL8027320 0.93 S1PR1 (0.38) FFAR1ACACBFFAR4PTPN1PTPRA
SCHEMBL8027572 0.92 MMP1 (0.39) FFAR1ACACBFFAR4PTPN1PTPRA
SCHEMBL8030906 0.88 MRGPRX4 (0.41) PPARGPPARDPPARAFFAR1NR4A2
SCHEMBL13786792 0.86 NPC1 (0.48)
SCHEMBL13786771 0.86 PPARG (0.41) PPARGPPARDPPARAADAMTS4FFAR1
SCHEMBL8028979 0.84 MAPT (0.37) HRH3MMP9MMP1
SCHEMBL8029044 0.84 PGR (0.43) MCL1
SCHEMBL8015275 0.83 GPR88 (0.33)
SCHEMBL8018469 0.82 MRGPRX4 (0.41) PPARGPPARAFFAR1FFAR4ADAM17

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 PPARG 3278/4885PPARD 3435/4885PPARA 2331/4885

“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.