SCHEMBL364031

SCHEMBL364031

Cc1cc(/C(C[C@H](c2ccc(C3CN(C(=O)OC(C)(C)C)C3)cc2)c2ccccc2C)=N/O)ccn1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 7/20 0.61
PROKR1 Q8TCW9 1/20 0.38
ADAM17 P78536 3/20 0.36
WNT3A P56704 1/20 0.36
SLC34A1 Q06495 1/20 0.36
TACR1 P25103 2/20 0.34
PDE4B Q07343 1/20 0.34
RORC P51449 1/20 0.34
USP30 Q70CQ3 1/20 0.34
HPGDS O60760 1/20 0.33
PIK3CD O00329 1/20 0.33

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
SCHEMBL1389830 1.00 GPBAR1 (0.61) GPBAR1PROKR1ADAM17WNT3ASLC34A1
SCHEMBL1389825 1.00 GPBAR1 (0.61) GPBAR1PROKR1ADAM17WNT3ASLC34A1
SCHEMBL1389829 1.00 GPBAR1 (0.61) GPBAR1PROKR1ADAM17WNT3ASLC34A1
SCHEMBL1390628 0.90 GPBAR1 (0.48) GPBAR1PROKR1ADAM17WNT3ASLC34A1
SCHEMBL1390627 0.90 GPBAR1 (0.48) GPBAR1PROKR1ADAM17WNT3ASLC34A1
SCHEMBL1390444 0.89 GPBAR1 (0.67) GPBAR1PROKR1USP30
SCHEMBL363501 0.89 GPBAR1 (0.67) GPBAR1PROKR1USP30
SCHEMBL1390260 0.89 GPBAR1 (0.66) GPBAR1PROKR1WNT3AUSP30
SCHEMBL1390257 0.89 GPBAR1 (0.66) GPBAR1PROKR1WNT3AUSP30
SCHEMBL1390261 0.89 GPBAR1 (0.66) GPBAR1PROKR1WNT3AUSP30

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-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 EP claimed
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP claimed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO claimed
EP-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 EP disclosed
US-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 US disclosed
US-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 US disclosed
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 US disclosed
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 US disclosed
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 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-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES GPBAR1, GPR119, ADRB1 GPBAR1 1/4885PROKR1 242/4885ADAM17 4582/4885

“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.