SCHEMBL5578339

SCHEMBL5578339

CN[C@H](C=C(C)C(=O)O)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.33
PTGS1 P23219 1/20 0.30
AKR1C3 P42330 1/20 0.30

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
SCHEMBL16861443 1.00 TUBB1 (0.33) TUBB1PTGS1AKR1C3
SCHEMBL16862667 1.00 TUBB1 (0.33) TUBB1PTGS1AKR1C3
SCHEMBL22643755 1.00 TUBB1 (0.33) TUBB1PTGS1AKR1C3
SCHEMBL5578335 1.00 TUBB1 (0.33) TUBB1PTGS1AKR1C3
Hydrochloric Acid SCHEMBL6669635 0.98 TUBB1 (0.33) TUBB1
Hydrochloric Acid SCHEMBL6669625 0.98 TUBB1 (0.33) TUBB1
Trifluoroacetic Acid SCHEMBL6673944 0.89 TUBB1 (0.32) TUBB1
Trifluoroacetic Acid SCHEMBL6673938 0.89 TUBB1 (0.32) TUBB1
SCHEMBL21086708 0.84 KISS1R (0.32)
SCHEMBL1537984 0.79 TUBB1 (0.32) TUBB1PTGS1AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070026478-A1 Hemiasterlin affinity probes and their uses WYETH (US) 2007-02-01 US disclosed
US-20040121965-A1 Method of treating resistant tumors WYETH HOLDINGS CORPORATION (US) 2004-06-24 US disclosed
WO-2004047615-A2 HEMIASTERLIN AFFINITY PROBES AND THEIR USES WYETH (US) 2004-06-10 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 (2 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-20070026478-A1 Hemiasterlin affinity probes and their uses TUBA1C, TUBB1, TUBB TUBB1 2/4885PTGS1 2855/4885AKR1C3 2159/4885
US-20040121965-A1 Method of treating resistant tumors SLC11A2, VHL, REN TUBB1 199/4885PTGS1 330/4885AKR1C3 652/4885

“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.