SCHEMBL21048422

SCHEMBL21048422

COc1cc([S+]([O-])C=CCCN=C=S)cc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
XPO1 O14980 2/20 0.44
MIF P14174 2/20 0.36
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
RXRG P48443 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
SCHEMBL19828155 1.00 XPO1 (0.44) XPO1MIFRXRARXRBRXRG
SCHEMBL21048396 0.88 XPO1 (0.54) XPO1MIF
SCHEMBL19828154 0.88 XPO1 (0.54) XPO1MIF
SCHEMBL19822507 0.85 XPO1 (0.46) XPO1MIF
SCHEMBL19828157 0.81 XPO1 (0.45) XPO1MIFRXRARXRG
SCHEMBL21048430 0.81 XPO1 (0.45) XPO1MIFRXRARXRG
SCHEMBL21048410 0.78 XPO1 (0.45) XPO1MIF
SCHEMBL19828156 0.78 XPO1 (0.45) XPO1MIF
SCHEMBL21048407 0.78 XPO1 (0.44) XPO1MIF
SCHEMBL19828319 0.78 XPO1 (0.44) XPO1MIF

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-10315990-B2 Isothiocyanate compounds and isothiocyanate XPO1 protein inhibitor drugs thereof DRIVINGFORCE THERAPEUTICS (CN) 2019-06-11 US claimed

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-10315990-B2 Isothiocyanate compounds and isothiocyanate XPO1 protein inhibitor drugs thereof XPO1, XPOT, XPO4 XPO1 1/4885MIF 915/4885RXRA 1996/4885

“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.