SCHEMBL363310

SCHEMBL363310

Cc1cc(C(=O)C[C@H](c2ccc(-c3ccc(C(=O)O)cc3)cc2)c2ccccc2C)ccn1

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 3/20 0.78
CTSA P10619 6/20 0.41
NR3C2 P08235 1/20 0.41
MGAM O43451 2/20 0.39
GAA P10253 2/20 0.39
SI P14410 2/20 0.39
MGAM2 Q2M2H8 2/20 0.39
PSEN1 P49768 2/20 0.39
PSEN2 P49810 2/20 0.39
APH1B Q8WW43 2/20 0.39
NCSTN Q92542 2/20 0.39
APH1A Q96BI3 2/20 0.39
PSENEN Q9NZ42 2/20 0.39
RXRA P19793 2/20 0.37
RXRB P28702 2/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
WNT3A P56704 1/20 0.36
RXRG P48443 1/20 0.36

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
SCHEMBL365538 1.00 GPBAR1 (0.78) GPBAR1CTSANR3C2MGAMGAA
SCHEMBL362812 1.00 GPBAR1 (0.78) GPBAR1CTSANR3C2MGAMGAA
SCHEMBL363087 0.97 GPBAR1 (0.72) GPBAR1CTSANR3C2MGAMGAA
SCHEMBL364037 0.97 GPBAR1 (0.72) GPBAR1CTSANR3C2MGAMGAA
SCHEMBL1390447 0.90 GPBAR1 (0.62) GPBAR1CTSANR3C2MGAMGAA
SCHEMBL1390446 0.90 GPBAR1 (0.62) GPBAR1CTSANR3C2MGAMGAA
SCHEMBL364671 0.90 GPBAR1 (0.64) GPBAR1CTSANR3C2MGAMGAA
SCHEMBL363185 0.89 GPBAR1 (0.63) GPBAR1CTSANR3C2MGAMGAA
SCHEMBL15949092 0.89 GPBAR1 (0.62) GPBAR1CTSANR3C2PSEN1PSEN2
SCHEMBL15949094 0.89 GPBAR1 (0.62) GPBAR1CTSANR3C2PSEN1PSEN2

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
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
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
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 1/4885CTSA 3225/4885NR3C2 232/4885

“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.