SCHEMBL3497712

SCHEMBL3497712

C=C(C)CC1(C(=O)OC)CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.45
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
MMP2 P08253 2/20 0.36
MMP13 P45452 2/20 0.36
ADAM17 P78536 2/20 0.36
MMP14 P50281 1/20 0.36
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
EPHX2 P34913 1/20 0.34
CYP11B2 P19099 1/20 0.34
ACACB O00763 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
USP30 Q70CQ3 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
SCHEMBL15437355 0.92 PKM (0.48) PKMCYP4F2CYP4A11MMP2MMP13
SCHEMBL3498233 0.90 CYP4F2 (0.46) PKMCYP4F2CYP4A11MMP2MMP13
SCHEMBL20608129 0.88 CYP4F2 (0.43) PKMCYP4F2CYP4A11USP2SMN1; SMN2
SCHEMBL1119882 0.84 PKM (0.45) PKMCYP4F2CYP4A11MMP2MMP13
SCHEMBL12193909 0.84 CYP4F2 (0.48) PKMCYP4F2CYP4A11MMP2MMP13
SCHEMBL34473382 0.84 PKM (0.45) PKMCYP4F2CYP4A11MMP2MMP13
SCHEMBL27236283 0.83 PKM (0.44) PKMCYP4F2CYP4A11MMP2MMP13
SCHEMBL31566709 0.83 PKM (0.44) PKMCYP4F2CYP4A11MMP2MMP13
SCHEMBL2473165 0.82 PKM (0.42) PKMCYP4F2CYP4A11MMP2MMP13
SCHEMBL15353442 0.82 CYP4F2 (0.49) PKMCYP4F2CYP4A11MMP2MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
US-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
US-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
EP-1911753-A1 SPIRO-CYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP disclosed
EP-1911753-A1 SPIRO-CYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP 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-20100160255-A1 SPIRO-CYCLIC COMPOUND ACACA, CPT1B, PC PKM 597/4885CYP4F2 1426/4885CYP4A11 228/4885

“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.