SCHEMBL21778452

SCHEMBL21778452

CC(C)(O)COc1ccc(C(C)(C)S)cc1F

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
VDR P11473 2/20 0.44
HDAC3 O15379 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
AAK1 Q2M2I8 3/20 0.39
MCHR1 Q99705 6/20 0.39
EGFR P00533 1/20 0.36
ITK Q08881 1/20 0.36
IL1B P01584 1/20 0.36
CNR2 P34972 1/20 0.35

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
SCHEMBL20347964 0.88 VDR (0.45) VDRHDAC3HDAC6AAK1MCHR1
SCHEMBL18374464 0.79 MRGPRX4 (0.47) VDRHDAC3HDAC6AAK1MCHR1
SCHEMBL12144437 0.79 AAK1 (0.55) VDRHDAC3HDAC6AAK1
SCHEMBL22374264 0.78 RIPK1 (0.42)
SCHEMBL2226575 0.78 AAK1 (0.40) VDRHDAC3HDAC6AAK1MCHR1
SCHEMBL22414502 0.77 TNKS2 (0.41) VDRHDAC3HDAC6AAK1
SCHEMBL20347961 0.76 ALOX5AP (0.42) AAK1
SCHEMBL27439663 0.75 PDE2A (0.46) VDRHDAC3HDAC6AAK1
SCHEMBL20347944 0.75 VDR (0.42) VDRHDAC3HDAC6MCHR1EGFR
SCHEMBL20347963 0.75 KDM4E (0.42) AAK1

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-10577321-B2 Deoxyuridine triphosphatase inhibitors UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2020-03-03 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-10577321-B2 Deoxyuridine triphosphatase inhibitors DUT, TYMP, DPYD VDR 3125/4885HDAC3 2279/4885HDAC6 2343/4885

“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.