SCHEMBL368766

SCHEMBL368766

Cc1cc(Cl)ccc1C(CC(=O)c1ccc[n+]([O-])c1)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.43
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
POLB P06746 2/20 0.38
GPBAR1 Q8TDU6 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
AKR1C3 P42330 2/20 0.37
AKR1C2 P52895 1/20 0.37
AKR1C1 Q04828 1/20 0.37
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CNR2 P34972 1/20 0.36
PTGS2 P35354 1/20 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
SCHEMBL369510 0.89 KMT2A (0.46) GPR84MGAMGAASIMGAM2
SCHEMBL370222 0.84 GPR84 (0.41) GPR84MGAMGAASIMGAM2
SCHEMBL1390603 0.80 EPHX2 (0.48) ADORA3ADORA2AADORA2BADORA1MGAM
SCHEMBL370157 0.80 GPBAR1 (0.39) ADORA3ADORA2AADORA2BADORA1MGAM
SCHEMBL1390478 0.79 GPBAR1 (0.43) ADORA3ADORA2AADORA2BADORA1MGAM
SCHEMBL1390477 0.79 GPBAR1 (0.43) ADORA3ADORA2AADORA2BADORA1MGAM
SCHEMBL368765 0.78 ADORA3 (0.37) ADORA3ADORA2AADORA2BADORA1MGAM
SCHEMBL370667 0.77 KMT2A (0.46) GPR84MGAMGAASIMGAM2
SCHEMBL371142 0.77 MGAM (0.41) GPR84MGAMGAASIMGAM2
SCHEMBL370680 0.77 GPBAR1 (0.37) ADORA3ADORA2AADORA2BADORA1POLB

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 GPR84 51/4885ADORA3 293/4885ADORA2A 432/4885

“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.