SCHEMBL362448

SCHEMBL362448

CCN(CC)C(=O)Nc1c(F)cccc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.46
DHODH Q02127 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
THRB P10828 1/20 0.40
NOX1 Q9Y5S8 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
DNMT1 P26358 1/20 0.40
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL5022148 0.79 PTGS2 (0.49) PTGS2KMT2AALDH1A1L3MBTL1
SCHEMBL23322563 0.75 PTGS2 (0.49) PTGS2KMT2AALDH1A1
SCHEMBL20560736 0.75 PTGS2 (0.49) PTGS2KMT2AKDM4EMEN1ALDH1A1
SCHEMBL15625386 0.75 ALDH1A1 (0.49) PTGS2KMT2AKDM4EMEN1ALDH1A1
SCHEMBL28513817 0.72 PTGS2 (0.44) PTGS2KMT2AKDM4EALDH1A1L3MBTL1
SCHEMBL234056 0.72 SMN1; SMN2 (0.59) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL14376782 0.72 PTGS2 (0.44) PTGS2
SCHEMBL20560562 0.69 PTGS2 (0.43) PTGS2KMT2AALDH1A1L3MBTL1
SCHEMBL883519 0.69 PTGS2 (0.44) PTGS2ALDH1A1L3MBTL1
SCHEMBL28492633 0.69 EPHX2 (0.45) PTGS2KMT2AKDM4EMEN1ALDH1A1

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 PTGS2 259/4885DHODH 2099/4885NPC1 1074/4885

“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.