SCHEMBL1979077

SCHEMBL1979077

COC(=O)c1sc(CBr)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.51
MAPT P10636 3/20 0.42
KMT2A Q03164 8/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 3/20 0.38
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 5/20 0.36
ALDH1A1 P00352 3/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL27997380 0.87 RAF1 (0.40) RAF1MAPTKMT2ATSHRHSD17B10
SCHEMBL10068646 0.85 ALDH1A1 (0.47) MAPTKMT2ATSHRHSD17B10KDM4E
SCHEMBL8928571 0.83 MAPT (0.42) RAF1MAPTKMT2ATSHRHSD17B10
SCHEMBL12272543 0.81 RAF1 (0.52) RAF1MAPTKMT2ATSHRHSD17B10
SCHEMBL12272546 0.81 RAF1 (0.52) RAF1MAPTKMT2ATSHRHSD17B10
SCHEMBL12523234 0.80 RAF1 (0.51) RAF1MAPTKMT2ATSHRHSD17B10
SCHEMBL12272822 0.78 RAF1 (0.49) RAF1MAPTKMT2ATSHRHSD17B10
SCHEMBL1371646 0.77 KMT2A (0.42) MAPTKMT2ATSHRHSD17B10KDM4E
SCHEMBL8928555 0.75 MAPT (0.46) MAPTKMT2ATSHRHSD17B10KDM4E
SCHEMBL14419258 0.74 GAA (0.44) MAPTKMT2ATSHRHSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2507228-B1 NOVEL SPIROPIPERIDINE COMPOUNDS LILLY CO ELI (US) 2014-11-05 EP disclosed
US-8822486-B2 Spiropiperidine compounds ELI LILLY AND COMPANY (US) 2014-09-02 US disclosed
EP-2507228-A1 NOVEL SPIROPIPERIDINE COMPOUNDS Eli Lilly and Company (US) 2012-10-10 EP disclosed
US-20120220616-A1 NOVEL SPIROPIPERIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2012-08-30 US disclosed
WO-2011066183-A1 NOVEL SPIROPIPERIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2011-06-03 WO 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-20120220616-A1 NOVEL SPIROPIPERIDINE COMPOUNDS REN, SLC5A1, SLC5A2 RAF1 1234/4885MAPT 2499/4885KMT2A 3693/4885

“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.