SCHEMBL498134

SCHEMBL498134

CCOC(=O)c1cccc(NCc2ccc(OCc3c(C(C)C)nnn3-c3c(Cl)cccc3Cl)cc2C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 5/20 0.53
PPARA Q07869 3/20 0.45
PPARD Q03181 2/20 0.38
MAPT P10636 5/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 1/20 0.38
RXFP1 Q9HBX9 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
TSHR P16473 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
RECQL P46063 1/20 0.36
FGFR1 P11362 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL3164099 0.92 NR1H4 (0.63) NR1H4PPARAPPARD
Methane SCHEMBL3150748 0.91 NR1H4 (0.62) NR1H4PPARAPPARD
SCHEMBL498056 0.87 NR1H4 (0.53) NR1H4PPARAPPARDCA1CA2
SCHEMBL498138 0.84 NR1H4 (0.52) NR1H4PPARAMAPTNPC1RAB9A
SCHEMBL498490 0.80 NR1H4 (0.62) NR1H4PPARA
SCHEMBL498301 0.79 NR1H4 (0.59) NR1H4PPARAPPARDSMN1; SMN2MEN1
SCHEMBL497577 0.76 NR1H4 (0.60) NR1H4MAPTKMT2AGAA
SCHEMBL4194100 0.76 NR1H4 (0.51) NR1H4PPARDMAPTKMT2AGAA
SCHEMBL498139 0.76 NR1H4 (0.57) NR1H4MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL498759 0.76 NR1H4 (0.57) NR1H4PPARA

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
US-8106077-B2 Compounds and methods for modulating FXR ELI LILLY AND COMPANY (US) 2012-01-31 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
WO-2007140174-A2 COMPOUNDS AND METHODS FOR MODULATING FXR ELI LILLY AND COMPANY (US) 2007-12-06 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-20090093524-A1 COMPOUNDS AND METHODS FOR MODULATING FXR NR1H4, SLC10A1, FXR1 NR1H4 1/4885PPARA 85/4885PPARD 80/4885

“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.