SCHEMBL3497339

SCHEMBL3497339

CC(=O)CC1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.41
MMP13 P45452 1/20 0.41
MMP14 P50281 1/20 0.41
ADAM17 P78536 1/20 0.41
HPGD P15428 1/20 0.39
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
USP30 Q70CQ3 2/20 0.35
CTSK P43235 1/20 0.35
EPHX1 P07099 1/20 0.35
SCD5 Q86SK9 1/20 0.34
NR1H2 P55055 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL22978724 0.86 MMP2 (0.42) MMP2MMP13MMP14ADAM17HPGD
SCHEMBL772537 0.86 USP2 (0.43) MMP2MMP13MMP14ADAM17HPGD
SCHEMBL17075655 0.86 USP2 (0.43) MMP2MMP13MMP14ADAM17HPGD
SCHEMBL772536 0.86 USP2 (0.43) MMP2MMP13MMP14ADAM17HPGD
SCHEMBL25272101 0.85 MMP2 (0.41) MMP2MMP13MMP14ADAM17HPGD
SCHEMBL3497547 0.85 L3MBTL1 (0.44) MMP2MMP13MMP14ADAM17CYP4F2
SCHEMBL18815646 0.82 KDM4E (0.44) MMP2MMP13MMP14ADAM17MEN1
SCHEMBL18815643 0.82 KDM4E (0.44) MMP2MMP13MMP14ADAM17MEN1
SCHEMBL1951057 0.82 MMP2 (0.39) MMP2MMP13MMP14ADAM17HPGD
SCHEMBL31297015 0.81 MMP2 (0.41) MMP2MMP13MMP14ADAM17HPGD

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-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

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 MMP2 2467/4885MMP13 2992/4885MMP14 3478/4885

“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.