SCHEMBL370437

SCHEMBL370437

Cn1cc(C(=O)CC(c2ccc(S(C)(=O)=O)cc2)c2cc(Cl)ccc2Cl)ccc1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.37
POLB P06746 3/20 0.36
BRD4 O60885 2/20 0.36
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35
ITGB1 P05556 1/20 0.35
ITGA4 P13612 1/20 0.35
LMNA P02545 1/20 0.34
CYP2C9 P11712 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
AVPR2 P30518 1/20 0.34
GPR27 Q9NS67 1/20 0.34
PTGS2 P35354 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
CYP2C19 P33261 1/20 0.34
EPHX2 P34913 2/20 0.34

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
SCHEMBL370157 0.89 GPBAR1 (0.39) AKR1C3POLBBRD4AKR1C2AKR1C1
SCHEMBL370027 0.89 EPHX2 (0.37) AKR1C3POLBBRD4AKR1C2AKR1C1
SCHEMBL1390379 0.88 GPBAR1 (0.42) BRD4LMNAMEN1KMT2APTGS2
SCHEMBL369281 0.88 GPBAR1 (0.36) AKR1C3BRD4AKR1C2AKR1C1ITGB1
SCHEMBL369280 0.88 GPBAR1 (0.36) AKR1C3BRD4AKR1C2AKR1C1ITGB1
SCHEMBL369282 0.88 GPBAR1 (0.36) AKR1C3BRD4AKR1C2AKR1C1ITGB1
SCHEMBL368246 0.81 GPBAR1 (0.52) BRD4LMNACYP2C9MEN1KMT2A
SCHEMBL369537 0.81 GPBAR1 (0.52) BRD4LMNACYP2C9MEN1KMT2A
SCHEMBL368247 0.81 GPBAR1 (0.52) BRD4LMNACYP2C9MEN1KMT2A
SCHEMBL1390512 0.81 CHRNA7 (0.37) POLB

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 AKR1C3 225/4885POLB 2940/4885BRD4 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.