SCHEMBL2774337

SCHEMBL2774337

COC(=O)c1ccc(CNCc2ccc(O)cc2)cc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.51
CA2 P00918 5/20 0.51
CA12 O43570 3/20 0.49
CA7 P43166 3/20 0.49
CA9 Q16790 3/20 0.49
CA14 Q9ULX7 3/20 0.49
PDK2 Q15119 1/20 0.49
PDK4 Q16654 1/20 0.49
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
HPGD P15428 4/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 3/20 0.42
EGFR P00533 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
HDAC1 Q13547 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL498275 0.88 CA1 (0.47) CA1CA2CA12CA7CA9
SCHEMBL2771491 0.86 CA1 (0.68) CA1CA2CA12CA7CA9
SCHEMBL2771774 0.85 CA1 (0.43) CA1CA2CA12CA7CA9
SCHEMBL498157 0.85 CA1 (0.43) CA1CA2CA12CA7CA9
SCHEMBL2771054 0.82 MEN1 (0.42) CA1CA2CA12CA7CA9
SCHEMBL29244713 0.81 GAA (0.49) CA1CA2CA12CA7CA9
SCHEMBL29030209 0.81 GAA (0.45) CA1CA2CA12CA7CA9
SCHEMBL25489060 0.81 L3MBTL1 (0.46) HPGDLMNAALDH1A1HSD17B10KDM4E
SCHEMBL380994 0.81 CA1 (0.73) CA1CA2CA12CA7CA9
SCHEMBL498132 0.81 CA1 (0.48) CA1CA2CA12CA7CA9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20090270460-A1 FXR AGONISTS NR1H4, SLC10A1, GPBAR1 CA1 4489/4885CA2 4145/4885CA12 4483/4885

“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.