SCHEMBL2083540

SCHEMBL2083540

COC(=O)Cc1csc2cc(B3OC(C)(C)C(C)(C)O3)ccc12

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
ROCK1 Q13464 1/20 0.38
DGAT1 O75907 1/20 0.38
HIF1A Q16665 3/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
GLA P06280 2/20 0.37
GAA P10253 1/20 0.37
CSF1R P07333 1/20 0.36
HPGD P15428 2/20 0.36
LIPG Q9Y5X9 2/20 0.34
TP53 P04637 2/20 0.34
LPL P06858 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
SNCA P37840 1/20 0.33

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
SCHEMBL15897091 0.92 KEAP1 (0.40) PRMT5WDR77ROCK1DGAT1HIF1A
SCHEMBL30470123 0.92 KEAP1 (0.40) PRMT5WDR77ROCK1DGAT1HIF1A
SCHEMBL2083984 0.88 ROCK1 (0.37) PRMT5WDR77ROCK1HIF1AKDM4E
SCHEMBL20562401 0.79 HIF1A (0.44) PRMT5WDR77ROCK1DGAT1HIF1A
SCHEMBL14711661 0.79 ROCK1 (0.44) PRMT5WDR77ROCK1DGAT1HIF1A
SCHEMBL27176829 0.79 HIF1A (0.48) PRMT5WDR77ROCK1DGAT1HIF1A
SCHEMBL13568196 0.79 HIF1A (0.43) PRMT5WDR77ROCK1DGAT1HIF1A
SCHEMBL15897705 0.78 NPC1 (0.41) PRMT5WDR77ROCK1DGAT1HIF1A
SCHEMBL24526366 0.78 ROCK1 (0.46) PRMT5WDR77ROCK1DGAT1HIF1A
SCHEMBL136447 0.78 CSF1R (0.41) PRMT5WDR77ROCK1DGAT1HIF1A

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 6 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-7846960-B2 FXR agonists ELI LILLY AND COMPANY (US) 2010-12-07 US disclosed
EP-2029547-B1 FXR AGONISTS LILLY CO ELI (US) 2010-04-28 EP disclosed
US-20090270460-A1 FXR AGONISTS JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2009-10-29 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20090270460-A1 FXR AGONISTS NR1H4, SLC10A1, GPBAR1 PRMT5 2474/4885WDR77 2037/4885ROCK1 2421/4885
US-20080306125-A1 Compounds and Methods for Modulating Fx-Receptors F2R, TBXA2R, PTAFR PRMT5 1735/4885WDR77 4395/4885ROCK1 1243/4885

“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.