SCHEMBL6139550

SCHEMBL6139550

CCOC(=O)C[C@H](O[Si](C)(C)C(C)(C)C)/C(Cl)=C\c1csc(C)n1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 3/20 0.30
NPC1 O15118 2/20 0.30
RAB9A P51151 2/20 0.30
GAA P10253 1/20 0.30
TSHR P16473 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL5229792 1.00 SMN1; SMN2 (0.32) SMN1; SMN2MEN1KMT2AMAPTNPC1
SCHEMBL6139552 1.00 SMN1; SMN2 (0.32) SMN1; SMN2MEN1KMT2AMAPTNPC1
SCHEMBL6368684 0.88 SMN1; SMN2 (0.32) SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL6139474 0.88 SMN1; SMN2 (0.32) SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL6139469 0.88 SMN1; SMN2 (0.32) SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL5229563 0.88 SMN1; SMN2 (0.32) SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL6139952 0.81
SCHEMBL6139948 0.81
SCHEMBL5224320 0.81
SCHEMBL6384767 0.81

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-20050187270-A1 16-Halogen-epothilone derivatives, method for producing them and their pharmaceutical use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-08-25 US disclosed
US-6930102-B2 16-halogen-epothilone derivatives, process for their production, and their pharmaceutical use SCHERING AG (DE) 2005-08-16 US disclosed
US-20040014978-A1 16-halogen-epothilone derivatives, process for their production, and their pharmaceutical use SCHERING AG (DE) 2004-01-22 US disclosed
US-6610736-B1 Antitumor SCHERING AG (DE) 2003-08-26 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 (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-20040014978-A1 16-halogen-epothilone derivatives, process for their production, and their pharmaceutical use EPOR, CYP2F1, REV1 SMN1; SMN2 4827/4885MEN1 2578/4885KMT2A 1965/4885
US-20050187270-A1 16-Halogen-epothilone derivatives, method for producing them and their pharmaceutical use ABCB1, UGT2B17, CYP7B1 SMN1; SMN2 4832/4885MEN1 4391/4885KMT2A 3671/4885

“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.