SCHEMBL260404

SCHEMBL260404

CCOC(=O)NNC(=O)OCc1ccc(C)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.52
ALDH1A1 P00352 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
GAA P10253 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MMP12 P39900 3/20 0.49
MMP2 P08253 2/20 0.49
MMP1 P03956 1/20 0.49
MMP9 P14780 1/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
HTT P42858 1/20 0.47
LMNA P02545 1/20 0.47
TRPV1 Q8NER1 1/20 0.46
NAMPT P43490 1/20 0.44
MAPT P10636 1/20 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
SCHEMBL2299550 0.94 NAAA (0.56) NAAAALDH1A1MMP12MMP2MMP1
SCHEMBL2918702 0.85 GAA (0.64) ALDH1A1SMN1; SMN2GAANPC1RAB9A
SCHEMBL13684290 0.84 NAAA (0.51) NAAASMN1; SMN2MMP12MMP2MMP1
SCHEMBL12898184 0.83 NAAA (0.54) NAAAALDH1A1MMP12MMP2MMP1
SCHEMBL11690233 0.82 MMP12 (0.44) NAAAALDH1A1SMN1; SMN2GAACYP1A2
SCHEMBL24062797 0.81 NAAA (0.52) NAAAALDH1A1MMP12MMP2MMP1
SCHEMBL22699958 0.81 ALDH1A1 (0.52) NAAAALDH1A1SMN1; SMN2GAAMMP12
SCHEMBL12885293 0.79 GAA (0.53) ALDH1A1SMN1; SMN2GAANPC1RAB9A
SCHEMBL28861927 0.79 NPC1 (0.51) NAAAALDH1A1SMN1; SMN2MMP12MMP2
SCHEMBL5931094 0.78 EGFR (0.55) ALDH1A1GAALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067440-B2 Phosphonium salts derivatives and uses thereof VALORISATION-RECHERCHE, LIMITED PARTNERSHIP (CA) 2011-11-29 US disclosed
US-20110092683-A1 PHOSPHONIUM SALTS DERIVATIVES AND USES THEREOF VALORISATION-RECHERCHE, LIMITED PARTNERSHIP (CA) 2011-04-21 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-20110092683-A1 PHOSPHONIUM SALTS DERIVATIVES AND USES THEREOF PI4K2A, PIP4K2A, PI4K2B NAAA 873/4885ALDH1A1 3468/4885SMN1; SMN2 3180/4885

“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.