SCHEMBL2083018

SCHEMBL2083018

COC(=O)c1c(C)oc2cc(OS(=O)(=O)C(F)(F)F)ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.49
ALDH1A1 P00352 1/20 0.49
HSD11B1 P28845 1/20 0.47
TSHR P16473 5/20 0.46
LMNA P02545 4/20 0.46
POLB P06746 2/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 3/20 0.44
MAPK1 P28482 2/20 0.44
GAA P10253 2/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
F2 P00734 1/20 0.44
F11 P03951 1/20 0.44
TP53 P04637 3/20 0.42
USP2 O75604 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL2772042 0.89 HSD11B1 (0.50) SMN1; SMN2ALDH1A1HSD11B1LMNAPOLB
SCHEMBL29463590 0.80 KDM4E (0.69) SMN1; SMN2ALDH1A1HSD11B1TSHRLMNA
SCHEMBL31604843 0.79 PTGS2 (0.66) SMN1; SMN2ALDH1A1TSHRLMNAPOLB
SCHEMBL13155387 0.76 HSD11B1 (0.48) ALDH1A1HSD11B1TSHRPOLBMAPT
SCHEMBL2810641 0.75 PIM1 (0.56) ALDH1A1HSD11B1LMNAMAPTTDP1
SCHEMBL28500191 0.75 HSD11B1 (0.61) ALDH1A1HSD11B1KDM4EHPGD
SCHEMBL30715310 0.75 TUBB4A (0.43) ALDH1A1HSD11B1POLBGAAL3MBTL1
SCHEMBL2084303 0.74 GAA (0.63) SMN1; SMN2ALDH1A1TSHRLMNAPOLB
SCHEMBL10847170 0.74 HPGD (0.72) HSD11B1HPGD
SCHEMBL18001968 0.74 KDM4E (0.50) ALDH1A1HSD11B1TSHRMEN1KMT2A

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 10 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
EP-2029547-A1 FXR AGONISTS ELI LILLY AND COMPANY (US) 2009-03-04 EP 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-2007140183-A1 FXR AGONISTS ELI LILLY AND COMPANY (US) 2007-12-06 WO 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 (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 SMN1; SMN2 4695/4885ALDH1A1 2072/4885HSD11B1 134/4885
US-20080306125-A1 Compounds and Methods for Modulating Fx-Receptors F2R, TBXA2R, PTAFR SMN1; SMN2 4396/4885ALDH1A1 4024/4885HSD11B1 964/4885

“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.