SCHEMBL17535949

SCHEMBL17535949

CCOc1nc(CO[Si](C(C)C)(C(C)C)C(C)C)ccc1O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 2/20 0.34
HPGD P15428 1/20 0.34
LTA4H P09960 1/20 0.32
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
ALDH1A1 P00352 2/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
TDP1 Q9NUW8 2/20 0.30
L3MBTL1 Q9Y468 2/20 0.30
MAPK1 P28482 1/20 0.30
GAA P10253 1/20 0.30
KDM4E B2RXH2 1/20 0.30
TP53 P04637 1/20 0.30
ALOX15 P16050 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL17535541 0.77 S1PR4 (0.32)
SCHEMBL17535634 0.75 AOC3 (0.41) TSHRMEN1MAPTKMT2AHPGD
SCHEMBL17535586 0.73 PDE10A (0.34)
SCHEMBL23166258 0.69 KMT2A (0.39) TSHRMEN1MAPTKMT2APOLB
SCHEMBL13343554 0.68 L3MBTL1 (0.46) TSHRMAPTHPGDALDH1A1TDP1
SCHEMBL13343557 0.67 S1PR4 (0.31)
SCHEMBL3563745 0.67 S1PR4 (0.47) MEN1MAPTKMT2APOLBALDH1A1
SCHEMBL3565081 0.66 MAPK1 (0.39) TSHRMAPTHPGDALDH1A1TDP1
SCHEMBL20745106 0.66 TRPV3 (0.30)
SCHEMBL17535648 0.65

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 TSHR 51/4885MEN1 185/4885MAPT 3594/4885

“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.