SCHEMBL2081693

SCHEMBL2081693

COCCn1cc(C(=O)OC)c2ccc(Br)cc21

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRPS1 P60891 2/20 0.58
TSHR P16473 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
LMNA P02545 3/20 0.51
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
POLB P06746 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NR4A2 P43354 2/20 0.48
CNR2 P34972 5/20 0.47
CNR1 P21554 5/20 0.47
GAA P10253 1/20 0.46
PTGER4 P35408 1/20 0.44
IDO1 P14902 2/20 0.43

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
SCHEMBL2083974 0.87 PRPS1 (0.60) PRPS1TSHRL3MBTL1LMNAMAPT
SCHEMBL2080591 0.86 PRPS1 (0.57) PRPS1TSHRL3MBTL1LMNAMAPT
SCHEMBL21549969 0.85 NR4A2 (0.66) PRPS1TSHRL3MBTL1LMNAMAPT
SCHEMBL35211208 0.85 NR4A2 (0.66) PRPS1TSHRL3MBTL1LMNAMAPT
SCHEMBL2081860 0.85 PRPS1 (0.56) PRPS1TSHRL3MBTL1LMNAMAPT
SCHEMBL2995269 0.81 LMNA (0.64) PRPS1TSHRLMNAMAPTSMN1; SMN2
SCHEMBL497718 0.81 NR4A2 (0.63) PRPS1L3MBTL1LMNAMAPTSMN1; SMN2
SCHEMBL30617267 0.79 PRPS1 (0.48) PRPS1TSHRL3MBTL1LMNAMAPT
SCHEMBL20951542 0.79 PRPS1 (0.48) PRPS1TSHRL3MBTL1LMNAMAPT
SCHEMBL20962528 0.78 PRPS1 (0.47) PRPS1TSHRL3MBTL1LMNAMAPT

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 PRPS1 2300/4885TSHR 113/4885L3MBTL1 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.