SCHEMBL498197

SCHEMBL498197

COC(=O)c1nn(C(C)C)c2cc(Br)ccc12

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELANE P08246 10/20 0.51
NLRP3 Q96P20 2/20 0.46
PLAU P00749 4/20 0.42
F2 P00734 3/20 0.42
PDGFRA P16234 1/20 0.41
CDK5 Q00535 1/20 0.41
TYRO3 Q06418 1/20 0.41
TSHR P16473 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NR4A2 P43354 1/20 0.38
HTR4 Q13639 1/20 0.38
CTRB1 P17538 1/20 0.38
HTT P42858 2/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 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
SCHEMBL21244228 0.89 ELANE (0.60) ELANENLRP3PLAUF2TSHR
SCHEMBL19127362 0.88 ELANE (0.50) ELANENLRP3PLAUF2PDGFRA
SCHEMBL498685 0.85 NLRP3 (0.46) ELANENLRP3PDGFRACDK5TYRO3
SCHEMBL30258337 0.82 ELANE (0.54) ELANEPLAUF2PDGFRACDK5
SCHEMBL498049 0.82 ELANE (0.54) ELANEPLAUF2PDGFRACDK5
SCHEMBL2260267 0.80 ELANE (0.59) ELANEPLAUF2TSHRKDM4E
SCHEMBL29340537 0.79 ELANE (0.58) ELANEPLAUF2TSHRL3MBTL1
SCHEMBL30676466 0.77 ELANE (0.56) ELANEPLAUF2TSHRL3MBTL1
SCHEMBL29121871 0.77 ELANE (0.56) ELANEPLAUF2TSHRL3MBTL1
SCHEMBL29121872 0.77 ELANE (0.56) ELANEPLAUF2TSHRL3MBTL1

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 12 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-8106077-B2 Compounds and methods for modulating FXR ELI LILLY AND COMPANY (US) 2012-01-31 US disclosed
CN-101374834-B Compounds and methods for modulating FXR ELI LILLY AND CO. (US) 2011-12-14 CN disclosed
US-7863302-B2 Compounds and methods for modulating FX-receptors ELI LILLY AND COMPANY (US) 2011-01-04 US disclosed
EP-2029558-B1 COMPOUNDS AND METHODS FOR MODULATING FXR LILLY CO ELI (US) 2010-03-10 EP disclosed
US-20090093524-A1 COMPOUNDS AND METHODS FOR MODULATING FXR JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2009-04-09 US disclosed
EP-2029558-A2 COMPOUNDS AND METHODS FOR MODULATING FXR ELI LILLY AND COMPANY (US) 2009-03-04 EP 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-2007140174-A2 COMPOUNDS AND METHODS FOR MODULATING FXR 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-20080306125-A1 Compounds and Methods for Modulating Fx-Receptors F2R, TBXA2R, PTAFR ELANE 673/4885NLRP3 3046/4885PLAU 232/4885
US-20090093524-A1 COMPOUNDS AND METHODS FOR MODULATING FXR NR1H4, SLC10A1, FXR1 ELANE 2182/4885NLRP3 2977/4885PLAU 2191/4885

“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.