SCHEMBL17535969

SCHEMBL17535969

CCOC(=O)c1cc(OCC)c(C2CCN(C(=O)O)CC2)c(OCC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.47
ALDH1A1 P00352 4/20 0.44
NPSR1 Q6W5P4 1/20 0.43
FDFT1 P37268 1/20 0.43
GAA P10253 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 2/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
TP53 P04637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
XBP1 P17861 1/20 0.39
TSHR P16473 2/20 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
SCHEMBL17535720 0.85 HPGD (0.51) GLAALDH1A1NPSR1GAASMN1; SMN2
SCHEMBL16055031 0.84 CA12 (0.46) GLAALDH1A1NPSR1GAASMN1; SMN2
Hydrochloric Acid SCHEMBL16056187 0.80 PLAT (0.44) GLAALDH1A1LMNAKMT2AMAPT
SCHEMBL16056333 0.79 FDFT1 (0.38) GLAALDH1A1NPSR1FDFT1GAA
SCHEMBL3033970 0.76 FDFT1 (0.55) ALDH1A1FDFT1SMN1; SMN2HTTLMNA
SCHEMBL16056780 0.76 MRGPRX4 (0.47) SMN1; SMN2LMNAKMT2AHSD17B10
SCHEMBL16624215 0.76 ALOX15 (0.44) GLAALDH1A1GAASMN1; SMN2LMNA
SCHEMBL16624217 0.76 ALOX15 (0.41) GLAALDH1A1NPSR1GAASMN1; SMN2
SCHEMBL10317509 0.76 HSD17B2 (0.55) ALDH1A1GAASMN1; SMN2HTTLMNA
SCHEMBL17787366 0.75 DRD2 (0.40) ALDH1A1GAASMN1; SMN2HTTLMNA

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 GLA 3083/4885ALDH1A1 2449/4885NPSR1 19/4885

“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.