SCHEMBL3602085

SCHEMBL3602085

CCOC(=O)c1cc(Br)c(-c2ccc(F)cc2)s1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.65
MAPT P10636 6/20 0.54
KDM4E B2RXH2 5/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
GRM6 O15303 1/20 0.54
TRPM8 Q7Z2W7 1/20 0.48
PTGS2 P35354 2/20 0.46
PTGS1 P23219 1/20 0.46
ALDH1A1 P00352 4/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
HPGD P15428 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
RECQL P46063 1/20 0.45

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
SCHEMBL27005478 0.83 PRKCZ (0.53) MAPK14MAPTKDM4ENPC1RAB9A
SCHEMBL421731 0.82 MAPK14 (0.46) MAPK14MAPTKDM4ENPC1RAB9A
SCHEMBL3609166 0.81 MAPK14 (0.61) MAPK14MAPTKDM4ENPC1RAB9A
SCHEMBL423834 0.79 MAPK14 (0.43) MAPK14MAPTKDM4ENPC1RAB9A
SCHEMBL5250495 0.79 MAPK14 (1.00) MAPK14GRM6PTGS2PTGS1ALDH1A1
SCHEMBL8985409 0.79 MAPK14 (0.75) MAPK14MAPTKDM4ENPC1RAB9A
SCHEMBL3609405 0.78 MAPT (0.72) MAPK14MAPTKDM4ENPC1RAB9A
SCHEMBL422050 0.78 TRPM8 (0.53) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL14705973 0.76 TRPM8 (0.54) MAPK14MAPTKDM4ENPC1RAB9A
SCHEMBL3605760 0.75 MAPK14 (0.66) MAPK14MAPTKDM4ENPC1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835476-B2 Synthesis of novel antimicrobials WU FAN (CA) 2014-09-16 US disclosed
US-20100076028-A1 Design and Synthesis of Novel Antimicrobials WU FAN 2010-03-25 US disclosed
WO-2006092059-A1 DESIGN AND SYNTHESIS OF NOVEL ANTIMICROBIALS WU FAN (CA) 2006-09-08 WO 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-20100076028-A1 Design and Synthesis of Novel Antimicrobials MLX, LPXN, TPX2 MAPK14 3384/4885MAPT 4883/4885KDM4E 4236/4885

“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.