SCHEMBL4380104

SCHEMBL4380104

CC(=O)c1ccc(S(=O)(=O)N2CCC(=NOCc3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MAPT P10636 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
LMNA P02545 3/20 0.48
GAA P10253 4/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP3A4 P08684 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 2/20 0.46
PKM P14618 1/20 0.46
HTT P42858 1/20 0.46
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
MAPK1 P28482 2/20 0.44

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
SCHEMBL4376967 0.90 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2MAPTLMNAGAA
SCHEMBL4380726 0.84 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MAPTLMNAGAA
SCHEMBL4387319 0.83 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MAPTLMNAGAA
SCHEMBL4388886 0.80 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2MAPTLMNAGAA
SCHEMBL4377612 0.79 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL4388234 0.79 MAOB (0.52) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL4380815 0.79 GAA (0.53) ALDH1A1SMN1; SMN2MAPTLMNAGAA
SCHEMBL4380383 0.77 CYP2C19 (0.46) ALDH1A1SMN1; SMN2MAPTLMNAGAA
SCHEMBL4385591 0.77 CYP2C19 (0.46) ALDH1A1SMN1; SMN2MAPTLMNAGAA
SCHEMBL4379571 0.74 CYP2C19 (0.56) ALDH1A1SMN1; SMN2MAPTLMNAGAA

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-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 US disclosed
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 US disclosed
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 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-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF KCNN4, CACNA1A, KCNN3 ALDH1A1 2105/4885SMN1; SMN2 664/4885MAPT 4378/4885

“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.