SCHEMBL497490

SCHEMBL497490

COC(=O)c1ccc(-c2ccc(O)cc2[N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.55
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
EGFR P00533 1/20 0.51
VCAM1 P19320 1/20 0.49
ABCB1 P08183 1/20 0.47
POLB P06746 2/20 0.46
MAPT P10636 3/20 0.46
USP10 Q14694 1/20 0.46
MYC P01106 1/20 0.45
MAX P61244 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PTGS2 P35354 1/20 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
SCHEMBL4726931 0.90 VCAM1 (0.59) ERN1EGFRVCAM1POLBMAPT
SCHEMBL29708208 0.90 VCAM1 (0.59) ERN1EGFRVCAM1POLBMAPT
SCHEMBL19010023 0.89 ERN1 (0.61) ERN1CA12CA1CA2CA9
SCHEMBL498267 0.85 KDM4E (0.54) ERN1CA1CA2EGFRVCAM1
SCHEMBL2949599 0.85 ERN1 (0.51) ERN1EGFRVCAM1POLBMAPT
SCHEMBL18980914 0.83 ERN1 (0.49) ERN1EGFRVCAM1POLBMAPT
SCHEMBL17197998 0.82 VCAM1 (0.61) ERN1VCAM1POLBMAPTMEN1
SCHEMBL12181970 0.82 POLB (0.55) ERN1VCAM1POLBMAPTMYC
SCHEMBL6801027 0.82 MAPT (0.59) CA12CA9ABCB1MAPTMEN1
SCHEMBL2484847 0.82 VCAM1 (0.57) ERN1EGFRVCAM1POLBMAPT

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 ERN1 3094/4885CA12 4104/4885CA1 3660/4885

“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.