SCHEMBL719087

SCHEMBL719087

CCOC(=O)CCNC(=O)c1ccc(NC(c2oc3ccc(OCc4ccccc4)cc3c2C)C(C)C)cc1.Cc1c(C(Nc2ccc(C(=O)NCCC(=O)O)cc2)C(C)C)oc2ccc(OCc3ccccc3)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
SPHK2 Q9NRA0 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SPHK1 Q9NYA1 1/20 0.40
MAPT P10636 3/20 0.39
PKM P14618 1/20 0.38
ADCY6 O43306 1/20 0.38
ADCY3 O60266 1/20 0.38
ADCY9 O60503 1/20 0.38
ADCY5 O95622 1/20 0.38
ADCY8 P40145 1/20 0.38
GCGR P47871 1/20 0.38
ADCY7 P51828 1/20 0.38
ADCY2 Q08462 1/20 0.38
ADCY1 Q08828 1/20 0.38

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
SCHEMBL720807 0.98 CASP3 (0.42) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL718691 0.95 CASP3 (0.44) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL718173 0.90 CASP3 (0.43) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL2669951 0.88 GCGR (0.45) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL719086 0.87 CASP3 (0.46) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL719544 0.86 CASP3 (0.40) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL719039 0.86 MEN1 (0.42) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL719948 0.84 CASP3 (0.41) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL718026 0.83 MEN1 (0.43) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL720636 0.82 CASP3 (0.44) CASP3SENP8SENP7SENP6L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP CASP3 489/4885SENP8 1677/4885SENP7 2664/4885

“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.