SCHEMBL3595114

SCHEMBL3595114

COc1ccc(COc2cnc(C(C)C(=O)O)cc2OS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.41
TRPV1 Q8NER1 1/20 0.40
ADAMTS4 O75173 1/20 0.40
KEAP1 Q14145 4/20 0.39
NFE2L2 Q16236 4/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
CYP19A1 P11511 1/20 0.38
CXCR1 P25024 1/20 0.38
FFAR1 O14842 2/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
APLNR P35414 1/20 0.37

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
SCHEMBL21847981 0.84 ABCB1 (0.46) NPC1POLBRAB9ASMN1; SMN2PPARG
SCHEMBL3595120 0.80 FFAR1 (0.50) KEAP1NFE2L2NPC1POLBRAB9A
SCHEMBL103718 0.80 KEAP1 (0.39) TRPV1KEAP1NFE2L2NPC1POLB
SCHEMBL3587460 0.75 NPC1 (0.39) ADAMTS4NPC1POLBRAB9ASMN1; SMN2
SCHEMBL19801535 0.71 NPC1 (0.43) NPC1POLBRAB9ASMN1; SMN2APLNR
SCHEMBL29276917 0.69 AAK1 (0.34) CXCR2SMN1; SMN2CXCR1
SCHEMBL2514454 0.69 GRM5 (0.39) NPC1RAB9A
SCHEMBL19801553 0.69 ABCB1 (0.45) NPC1RAB9A
SCHEMBL10532890 0.68 KDM4E (0.55) NPC1POLBRAB9ASMN1; SMN2PPARA
SCHEMBL30866200 0.68 PPARD (0.44) PPARGPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8551985-B2 Carbinol derivatives having heterocyclic linker KOWA COMPANY, LTD. (JP) 2013-10-08 US disclosed
US-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-11-04 US 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-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER NR1H2, NR1H3, CCR2 CXCR2 28/4885TRPV1 804/4885ADAMTS4 4785/4885

“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.