SCHEMBL17535549

SCHEMBL17535549

CCOC(=O)c1cc(O)c(N2CCCCC2)c(C2CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
MAPK1 P28482 1/20 0.42
LMNA P02545 1/20 0.42
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
FDFT1 P37268 1/20 0.39
MAPT P10636 1/20 0.39
BCL2L1 Q07817 1/20 0.39
HPGD P15428 1/20 0.39
SIRT2 Q8IXJ6 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
SCHEMBL17535948 0.86 ALDH1A1 (0.43) ALDH1A1MAPK1LMNANPC1RAB9A
SCHEMBL17535482 0.82 ALDH1A1 (0.40) ALDH1A1MAPK1LMNANPC1RAB9A
SCHEMBL16055183 0.77 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL16056205 0.77 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL15681637 0.75 NPC1 (0.48) ALDH1A1MAPK1LMNANPC1RAB9A
SCHEMBL19820898 0.74 NPC1 (0.43) ALDH1A1LMNANPC1RAB9AL3MBTL1
SCHEMBL22696083 0.70 PTGER4 (0.49) ALDH1A1CA12CA1CA2CA7
SCHEMBL2390705 0.68 KDM4E (0.43) ALDH1A1LMNAKMT2ASMN1; SMN2MEN1
SCHEMBL15681635 0.68 CA12 (0.44) ALDH1A1CA12CA1CA2CA7
SCHEMBL16624215 0.68 ALOX15 (0.44) ALDH1A1CA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970331-B1 SPIRO AZETIDINE ISOXAZOLE DERIVATIVES AND THEIR USE AS SSTR5 ANTAGONISTS TAKEDA PHARMACEUTICALS CO (JP) 2017-05-17 EP disclosed
US-9605000-B2 Spiro azetidine isoxazole derivatives and their use as SSTR antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-28 US disclosed
US-20160060273-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-03-03 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-20160060273-A1 HETEROCYCLIC COMPOUND SSTR5, SSTR1, SSTR2 ALDH1A1 2449/4885CA12 1329/4885CA1 1055/4885

“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.