SCHEMBL370222

SCHEMBL370222

CS(=O)(=O)c1ccc(C(CC(=O)c2ccc[n+]([O-])c2)c2ccccc2Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GPBAR1 Q8TDU6 1/20 0.40
MGAM O43451 2/20 0.38
GAA P10253 2/20 0.38
SI P14410 2/20 0.38
MGAM2 Q2M2H8 2/20 0.38
PTGS2 P35354 2/20 0.35
NPC1 O15118 2/20 0.35
ALDH1A1 P00352 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL369804 0.87 MGAM (0.47) GPR84MEN1KMT2AMGAMGAA
SCHEMBL368766 0.84 GPR84 (0.43) GPR84MEN1KMT2AGPBAR1MGAM
SCHEMBL371137 0.80 EPHX2 (0.50) GPBAR1MGAMGAASIMGAM2
SCHEMBL1390379 0.79 GPBAR1 (0.42) MEN1KMT2AGPBAR1MGAMGAA
SCHEMBL369497 0.76 MGAM (0.47) GPR84MEN1KMT2AGPBAR1MGAM
SCHEMBL363930 0.76 CTSA (0.42) NPC1ALDH1A1RAB9ASMN1; SMN2TDP1
SCHEMBL370450 0.74 GAA (0.47) GPR84MEN1KMT2AMGAMGAA
SCHEMBL369510 0.72 KMT2A (0.46) GPR84MEN1KMT2AMGAMGAA
SCHEMBL371142 0.70 MGAM (0.41) GPR84MEN1KMT2AGPBAR1MGAM
SCHEMBL370667 0.70 KMT2A (0.46) GPR84MEN1KMT2AMGAMGAA

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 51/4885MEN1 1315/4885KMT2A 3981/4885

“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.