SCHEMBL8030906

SCHEMBL8030906

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.41
PTGER4 P35408 1/20 0.38
S1PR5 Q9H228 2/20 0.38
HRH3 Q9Y5N1 5/20 0.37
PPARD Q03181 3/20 0.36
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP14 P50281 1/20 0.35
ADAM17 P78536 1/20 0.35
PTGES O14684 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
SCHEMBL8017413 0.89 NR4A2 (0.44) MRGPRX4S1PR5PPARDPPARGPPARA
SCHEMBL8027488 0.88 PPARG (0.41) HRH3PPARDPPARGPPARAFFAR1
SCHEMBL8025937 0.84 ADAM17 (0.40) MRGPRX4FFAR4MMP1MMP9ADAM17
SCHEMBL8015275 0.83 GPR88 (0.33)
SCHEMBL13786792 0.81 NPC1 (0.48)
SCHEMBL8027252 0.81 HPGD (0.45) PPARGMMP1MMP2MMP9
SCHEMBL13786777 0.80 S1PR5 (0.39) MRGPRX4S1PR5PPARDFFAR1S1PR1
SCHEMBL8027320 0.80 S1PR1 (0.38) FFAR1FFAR4S1PR1MMP1MMP2
SCHEMBL8018469 0.79 MRGPRX4 (0.41) MRGPRX4PTGER4S1PR5PPARGPPARA
SCHEMBL8027572 0.79 MMP1 (0.39) FFAR1FFAR4S1PR1MMP1MMP2

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 MRGPRX4 3873/4885PTGER4 3104/4885S1PR5 3686/4885

“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.