SCHEMBL4192491

SCHEMBL4192491

C[C@H](CO)CCC[C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.37
RIPK1 Q13546 2/20 0.31
GPR88 Q9GZN0 1/20 0.31
KCNH3 Q9ULD8 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
SCHEMBL4192489 1.00 TRPA1 (0.37) TRPA1RIPK1GPR88KCNH3
SCHEMBL8175900 0.87 TRPA1 (0.35) TRPA1RIPK1GPR88KCNH3
SCHEMBL4455719 0.87 TRPA1 (0.35) TRPA1RIPK1GPR88KCNH3
SCHEMBL17006157 0.86 TRPA1 (0.34) TRPA1RIPK1KCNH3
SCHEMBL17006154 0.86 TRPA1 (0.34) TRPA1RIPK1KCNH3
SCHEMBL19331709 0.86 TRPA1 (0.34) TRPA1RIPK1KCNH3
SCHEMBL14564989 0.84 TRPA1 (0.40) TRPA1RIPK1KCNH3
SCHEMBL8391322 0.84 TRPA1 (0.40) TRPA1RIPK1KCNH3
SCHEMBL27032153 0.84 TRPA1 (0.40) TRPA1RIPK1KCNH3
SCHEMBL4766097 0.84 TRPA1 (0.37) TRPA1RIPK1KCNH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090018342-A1 NEW EPOTHIOLONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR PHARMACEUTICAL USE KLAR ULRICH 2009-01-15 US disclosed
US-7407975-B2 Epothilone derivatives, method for producing same and their pharmaceutical use BAYER SCHERING PHARMA AG (DE) 2008-08-05 US disclosed
US-20060040990-A1 Epothilone derivatives, process for their production, and their pharmaceutical use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-02-23 US disclosed
US-7001916-B1 Epothilon derivatives, method for the production and the use thereof as pharmaceuticals SCHERING, AG (DE) 2006-02-21 US disclosed
US-20030144523-A1 EPOTHILONE DERIVATIVES, METHOD FOR PRODUCING SAME AND THEIR PHARMACEUTICAL USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2003-07-31 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 (3 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-20060040990-A1 Epothilone derivatives, process for their production, and their pharmaceutical use PTGIS, PTGES, PTGES2 TRPA1 4232/4885RIPK1 3176/4885GPR88 2853/4885
US-20030144523-A1 EPOTHILONE DERIVATIVES, METHOD FOR PRODUCING SAME AND THEIR PHARMACEUTICAL USE TUBB1, TUBA1C, TUBB4A TRPA1 4832/4885RIPK1 2835/4885GPR88 3182/4885
US-20090018342-A1 NEW EPOTHIOLONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR PHARMACEUTICAL USE TUBB4A, TUBA1B, TUBB TRPA1 4818/4885RIPK1 2658/4885GPR88 3204/4885

“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.