SCHEMBL2085240

SCHEMBL2085240

COC(=O)c1c(C)n(C)c2cc(Cl)ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.48
GAA P10253 3/20 0.48
ENPP2 Q13822 2/20 0.46
KDM4E B2RXH2 4/20 0.45
MAPT P10636 4/20 0.45
HSD17B10 Q99714 4/20 0.45
ALOX15 P16050 3/20 0.45
PKM P14618 2/20 0.45
HPGD P15428 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2D6 P10635 1/20 0.45
POLB P06746 2/20 0.44
NR4A2 P43354 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
USP14 P54578 1/20 0.43
TSHR P16473 3/20 0.43
ALDH1A1 P00352 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
SCHEMBL5234885 0.88 SMN1; SMN2 (0.52) KMT2AGAAKDM4EMAPTHSD17B10
SCHEMBL27625883 0.84 MAPT (0.59) KMT2AGAAKDM4EMAPTHSD17B10
SCHEMBL5235896 0.82 KMT2A (0.48) KMT2AGAAKDM4EMAPTHSD17B10
SCHEMBL5240891 0.82 OXER1 (0.43) GAAKDM4EHSD17B10ALOX15CYP1A2
SCHEMBL2081723 0.82 ATM (0.48) GAAKDM4EMAPTHSD17B10ALOX15
SCHEMBL30883973 0.78 SRC (0.56) KMT2AGAAKDM4EMAPTHSD17B10
SCHEMBL15987388 0.78 SRC (0.56) KMT2AGAAKDM4EMAPTHSD17B10
SCHEMBL5746650 0.76 MAPK8 (0.45)
SCHEMBL24482981 0.75 MAPK8 (0.44) GAAKDM4EHSD17B10ALOX15HPGD
SCHEMBL4841109 0.75 ALOX15 (0.50) KMT2AKDM4EHSD17B10ALOX15HPGD

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 14 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
CN-101374834-B Compounds and methods for modulating FXR ELI LILLY AND CO. (US) 2011-12-14 CN disclosed
CN-101448791-B Fxr agonists LILLY CO ELI 2011-11-16 CN 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
CN-101448791-A FXR agonists LILLY CO ELI (US) 2009-06-03 CN disclosed
CN-101374834-A Compounds and methods for modulating FXR LILLY CO ELI (US) 2009-02-25 CN 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
EP-1603914-B1 COMPOUNDS HAVING ACTIVITY AT 5HT2C RECEPTOR AND USES THEREOF GLAXO GROUP LTD (GB) 2007-01-17 EP disclosed
EP-1603914-B1 COMPOUNDS HAVING ACTIVITY AT 5HT2C RECEPTOR AND USES THEREOF GLAXO GROUP LTD (GB) 2007-01-17 EP 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 KMT2A 4296/4885GAA 745/4885ENPP2 675/4885
US-20080306125-A1 Compounds and Methods for Modulating Fx-Receptors F2R, TBXA2R, PTAFR KMT2A 3741/4885GAA 1469/4885ENPP2 44/4885

“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.