SCHEMBL6670880

SCHEMBL6670880

CC(C)(c1ccc(Br)cc1)[C@H](N)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.45
LDHA P00338 1/20 0.43
ALDH1A1 P00352 3/20 0.41
MAPT P10636 1/20 0.41
PTGS1 P23219 1/20 0.41
MME P08473 1/20 0.39
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
OGG1 O15527 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
GRIK1 P39086 1/20 0.36
GRIK2 Q13002 1/20 0.36

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
SCHEMBL6670877 1.00 KIF11 (0.45) KIF11LDHAALDH1A1MAPTPTGS1
SCHEMBL6910253 0.83 KIF11 (0.50) KIF11ALDH1A1MAPTPTGS1SLC1A3
SCHEMBL4399040 0.83 KIF11 (0.45) KIF11ALDH1A1MAPTPTGS1LMNA
SCHEMBL4399038 0.83 KIF11 (0.45) KIF11ALDH1A1MAPTPTGS1LMNA
SCHEMBL27685329 0.82 KIF11 (0.50) KIF11ALDH1A1MAPTPTGS1KMT2A
SCHEMBL4401812 0.82 KIF11 (0.50) KIF11ALDH1A1MAPTPTGS1KMT2A
SCHEMBL4401809 0.82 KIF11 (0.50) KIF11ALDH1A1MAPTPTGS1KMT2A
SCHEMBL23176910 0.81 KIF11 (0.45) KIF11ALDH1A1MAPTPTGS1SLC1A3
SCHEMBL27644364 0.81 GRIN2D (0.47) KIF11ALDH1A1MAPTPTGS1SMN1; SMN2
Hydrochloric Acid SCHEMBL2797437 0.80 GRIN2D (0.46) KIF11ALDH1A1MAPTPTGS1SMN1; SMN2

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-20040121965-A1 Method of treating resistant tumors WYETH HOLDINGS CORPORATION (US) 2004-06-24 US disclosed
WO-2004026305-A9 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONIST LILLY CO ELI (US) 2004-05-13 WO disclosed
WO-2004026293-A2 HEMIASTERLIN DERIVATIVES FOR TREATING RESISTANT TUMORS WYETH HOLDINGS CORPORATION (US) 2004-04-01 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-20040121965-A1 Method of treating resistant tumors SLC11A2, VHL, REN KIF11 1869/4885LDHA 268/4885ALDH1A1 612/4885

“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.