SCHEMBL2083334

SCHEMBL2083334

COC(=O)c1cn(CCSC)c2cc(-c3ccc(O)cc3C)ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.40
NR4A2 P43354 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TSHR P16473 1/20 0.40
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.38
HSD17B1 P14061 1/20 0.38
PRPS1 P60891 2/20 0.37
CNR1 P21554 1/20 0.37
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
PIM1 P11309 1/20 0.37
IRAK1 P51617 1/20 0.37
CAMK2B Q13554 1/20 0.37
CAMK2G Q13555 1/20 0.37
CAMK2D Q13557 1/20 0.37
PIM3 Q86V86 1/20 0.37

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
SCHEMBL2084199 0.89 CNR1 (0.47) LMNANR4A2L3MBTL1TSHRMAPT
SCHEMBL16456857 0.89 LMNA (0.45) LMNANR4A2L3MBTL1TSHRMAPT
SCHEMBL2083612 0.87 ROCK1 (0.43) LMNANR4A2L3MBTL1TSHRMAPT
SCHEMBL497991 0.84 NR4A2 (0.51) NR4A2MAPTHSD17B1ESR1ESR2
SCHEMBL2082775 0.79 CNR2 (0.46) MAPTHSD17B1CNR1ESR1ESR2
SCHEMBL498148 0.79 HSD17B1 (0.40) NR4A2MAPTHSD17B1ESR1ESR2
SCHEMBL2080591 0.77 PRPS1 (0.57) LMNANR4A2L3MBTL1TSHRMAPT
SCHEMBL16456874 0.73 ROCK1 (0.49) LMNANR4A2L3MBTL1TSHRMAPT
SCHEMBL2085082 0.73 MAPT (0.49) LMNATSHRMAPTSMN1; SMN2GAA
SCHEMBL2083930 0.73 ESR1 (0.44) MAPTGAAHSD17B1ESR1ESR2

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-1984360-B1 Compounds and methods for modulating FX-receptors LILLY CO ELI (US) 2014-01-15 EP disclosed
US-7863302-B2 Compounds and methods for modulating FX-receptors ELI LILLY AND COMPANY (US) 2011-01-04 US disclosed
US-20080306125-A1 Compounds and Methods for Modulating Fx-Receptors JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2008-12-11 US disclosed
EP-1984360-A2 COMPOUNDS AND METHODS FOR MODULATING FX-RECEPTORS Eli Lilly & Company (US) 2008-10-29 EP disclosed
WO-2007092751-A2 COMPOUNDS AND METHODS FOR MODULATING FX-RECEPTORS ELI LILLY AND COMPANY (US) 2007-08-16 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-20080306125-A1 Compounds and Methods for Modulating Fx-Receptors F2R, TBXA2R, PTAFR LMNA 951/4885NR4A2 1079/4885L3MBTL1 4833/4885

“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.