SCHEMBL6799798

SCHEMBL6799798

CN[C@H](C(=O)O)C(C)(C)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.50
ACE P12821 3/20 0.50
CYP2C9 P11712 2/20 0.44
PTGS2 P35354 1/20 0.43
ACE2 Q9BYF1 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
KIF11 P52732 2/20 0.40
CYP1A2 P05177 1/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
CYP2C19 P33261 1/20 0.40
DNMT1 P26358 1/20 0.40
ADAMTS4 O75173 1/20 0.40
HPGDS O60760 1/20 0.39

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
SCHEMBL6799795 1.00 MME (0.50) MMEACECYP2C9PTGS2ACE2
SCHEMBL5981504 0.90 HDAC3 (0.44) MMEACEKIF11CYP1A2CYP2C19
SCHEMBL88835 0.90 HDAC3 (0.44) MMEACEKIF11CYP1A2CYP2C19
SCHEMBL6670650 0.84 HDAC1 (0.44) NPC1RAB9AKIF11
SCHEMBL6670653 0.84 HDAC1 (0.44) NPC1RAB9AKIF11
SCHEMBL6674793 0.83 MAPT (0.42) NPC1RAB9AKIF11GAA
SCHEMBL20732297 0.83 ESR1 (0.42) MMEACEKIF11
SCHEMBL6674790 0.83 MAPT (0.42) NPC1RAB9AKIF11GAA
SCHEMBL6674976 0.81 POLB (0.45) CYP2C9NPC1RAB9AKIF11CYP1A2
SCHEMBL6801098 0.81 MME (0.40) MMENPC1RAB9AKIF11CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040121965-A1 Method of treating resistant tumors WYETH HOLDINGS CORPORATION (US) 2004-06-24 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-20040121965-A1 Method of treating resistant tumors SLC11A2, VHL, REN MME 127/4885ACE 241/4885CYP2C9 3794/4885

“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.