SCHEMBL6805664

SCHEMBL6805664

CN[C@H](C(=O)O)C(C)(C)c1cccc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
KDM4E B2RXH2 1/20 0.47
NPSR1 Q6W5P4 3/20 0.46
MAPT P10636 2/20 0.44
HTT P42858 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
RAB9A P51151 1/20 0.44
CES2 O00748 1/20 0.44
ALDH1A1 P00352 2/20 0.43
POLB P06746 2/20 0.43
GAA P10253 1/20 0.43
TP53 P04637 2/20 0.42
P2RX1 P51575 1/20 0.42
LMNA P02545 1/20 0.42
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
SLC1A3 P43003 1/20 0.41

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
SCHEMBL6805659 1.00 SMN1; SMN2 (0.47) SMN1; SMN2KDM4ENPSR1MAPTHTT
SCHEMBL6806037 0.87 MAPT (0.45) MAPTCES2ALDH1A1P2RX1LMNA
SCHEMBL6806035 0.87 MAPT (0.45) MAPTCES2ALDH1A1P2RX1LMNA
SCHEMBL6806879 0.85 KCNN4 (0.45) KDM4EHTTRAB9ACES2
SCHEMBL6806880 0.85 KCNN4 (0.45) KDM4EHTTRAB9ACES2
SCHEMBL6670753 0.84 KIF11 (0.46) SMN1; SMN2NPSR1HTTMEN1KMT2A
SCHEMBL6670756 0.84 KIF11 (0.46) SMN1; SMN2NPSR1HTTMEN1KMT2A
SCHEMBL6805401 0.83 KIF11 (0.42) KDM4EALDH1A1LMNACYP1A2CYP3A4
SCHEMBL6805400 0.83 KIF11 (0.42) KDM4EALDH1A1LMNACYP1A2CYP3A4
SCHEMBL5981504 0.82 HDAC3 (0.44) KDM4EMAPTKMT2AALDH1A1CYP1A2

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 SMN1; SMN2 1481/4885KDM4E 2744/4885NPSR1 1263/4885

“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.