SCHEMBL368299

SCHEMBL368299

Cn1cc(C(=O)CC(c2cccc(S(C)(=O)=O)c2)c2ccc(Cl)cc2F)ccc1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.36
AKR1C3 P42330 1/20 0.34
BRD4 O60885 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP3A5 P20815 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.33
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
KCNQ4 P56696 1/20 0.33
KCNQ5 Q9NR82 1/20 0.33
CREBBP Q92793 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CCR5 P51681 1/20 0.33
CTSA P10619 1/20 0.33
PTGS2 P35354 1/20 0.33
EEF2K O00418 1/20 0.32
MDM2 Q00987 1/20 0.32

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
SCHEMBL370027 0.90 EPHX2 (0.37) AKR1C3BRD4PTGDR2
SCHEMBL1390125 0.89 ADRA1D (0.35) ADRA1DAKR1C3BRD4CYP3A4CYP3A5
SCHEMBL1390126 0.89 ADRA1D (0.35) ADRA1DAKR1C3BRD4CYP3A4CYP3A5
SCHEMBL1390127 0.89 ADRA1D (0.35) ADRA1DAKR1C3BRD4CYP3A4CYP3A5
SCHEMBL370670 0.87 CREBBP (0.43) BRD4GAACREBBPMEN1KMT2A
SCHEMBL1390467 0.84 POLB (0.37) BRD4GAAMEN1KMT2AMDM2
SCHEMBL369115 0.84 PTGDR2 (0.36) BRD4GAAPTGDR2EEF2KMDM2
SCHEMBL1390327 0.83 CREBBP (0.42) BRD4CYP3A4ALDH1A1CREBBPMEN1
SCHEMBL369536 0.83 POLB (0.38) GAACREBBPMEN1KMT2AMDM2
SCHEMBL1390349 0.82 BAZ2B (0.36) BRD4CREBBPMEN1KMT2A

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 ADRA1D 9/4885AKR1C3 225/4885BRD4 3540/4885

“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.