SCHEMBL7085232

SCHEMBL7085232

CC(C)(C)OC(=O)CC(O)CC(O)CCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.45
MMP12 P39900 3/20 0.44
MMP13 P45452 2/20 0.44
CTSK P43235 2/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP14 P50281 1/20 0.44
CTSS P25774 1/20 0.44
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
HMGCR P04035 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CTSG P08311 2/20 0.40
CTRB1 P17538 2/20 0.40
PRSS1 P07477 1/20 0.40
CMA1 P23946 1/20 0.40
TRPA1 O75762 1/20 0.39

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
SCHEMBL5613391 0.85 MMP12 (0.65) DPP4MMP12MMP13CTSKMMP2
SCHEMBL19215335 0.84 NPC1 (0.46) MMP9CTSSHMGCR
SCHEMBL5670364 0.82 POLB (0.48) DPP4MMP12MMP13CTSKMMP2
SCHEMBL7082464 0.82 POLB (0.48) DPP4MMP12MMP13CTSKMMP2
SCHEMBL11290693 0.82 F10 (0.50) DPP4MMP12MMP13MMP2MMP9
SCHEMBL6482663 0.81 CA1 (0.51) CTSS
SCHEMBL2340083 0.81 CA1 (0.51) CTSS
SCHEMBL6495557 0.81 CA1 (0.51) CTSS
SCHEMBL1915090 0.80 CTSS (0.46) CTSKMMP2CTSSCTSGCTRB1
SCHEMBL1914954 0.80 CTSS (0.46) CTSKMMP2CTSSCTSGCTRB1

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-20030236302-A1 Synthetic derivatives SYNTA PHARMACEUTICALS CORP. 2003-12-25 US disclosed
WO-2003072103-A1 SYNTHETIC DERIVATIVES KAVA PHARMACEUTICALS, INC. (US) 2003-09-04 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-20030236302-A1 Synthetic derivatives CBR1, CBR3, REL DPP4 2830/4885MMP12 4757/4885MMP13 4192/4885

“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.