SCHEMBL1390477

SCHEMBL1390477

Cc1cc(C(=O)C[C@H](c2ccc(S(C)(=O)=O)cc2)c2ccc(Cl)cc2C)ccn1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 5/20 0.43
CCR9 P51686 3/20 0.40
PROKR1 Q8TCW9 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37
CNR2 P34972 1/20 0.36
PTGDR2 Q9Y5Y4 3/20 0.36
POLB P06746 2/20 0.36
MGAM O43451 2/20 0.35
GAA P10253 2/20 0.35
SI P14410 2/20 0.35
MGAM2 Q2M2H8 2/20 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
SCHEMBL1390478 1.00 GPBAR1 (0.43) GPBAR1CCR9PROKR1ADORA3ADORA2A
SCHEMBL1390416 0.88 GPBAR1 (0.46) GPBAR1CCR9PROKR1POLBMGAM
SCHEMBL362865 0.88 GPBAR1 (0.55) GPBAR1CCR9PROKR1POLBMGAM
SCHEMBL1390415 0.88 GPBAR1 (0.46) GPBAR1CCR9PROKR1POLBMGAM
SCHEMBL1389983 0.87 GPBAR1 (0.56) GPBAR1CCR9PROKR1ADORA3ADORA2A
SCHEMBL1389984 0.87 GPBAR1 (0.56) GPBAR1CCR9PROKR1ADORA3ADORA2A
SCHEMBL1389981 0.87 GPBAR1 (0.56) GPBAR1CCR9PROKR1ADORA3ADORA2A
SCHEMBL1389986 0.87 GPBAR1 (0.56) GPBAR1CCR9PROKR1ADORA3ADORA2A
SCHEMBL1390696 0.87 GPBAR1 (0.49) GPBAR1PROKR1POLBMGAMGAA
SCHEMBL370167 0.87 GPBAR1 (0.49) GPBAR1PROKR1POLBMGAMGAA

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 4 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-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-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 1/4885CCR9 2832/4885PROKR1 242/4885

“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.