SCHEMBL21291338

SCHEMBL21291338

CCC1=C(c2cc(-c3ccc(C=O)s3)sc2-c2cccs2)C(F)(F)C(F)(F)C1(F)F

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.46
EGFR P00533 1/20 0.33
RET P07949 1/20 0.33
KDR P35968 1/20 0.33
CTRC Q99895 1/20 0.33
APP P05067 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
SCHEMBL16021756 0.90 DPP4 (0.55) DPP4EGFRRETKDRCTRC
SCHEMBL21291339 0.87 DPP4 (0.49) DPP4EGFRRETKDRCTRC
SCHEMBL14838413 0.78 DPP4 (0.41) DPP4EGFRRETKDRCTRC
SCHEMBL16021800 0.77 DPP4 (0.39) DPP4EGFRRETKDRCTRC
SCHEMBL14838338 0.75 DPP4 (0.36) DPP4EGFRRETKDRCTRC
SCHEMBL915494 0.75 MEN1 (0.34) DPP4
SCHEMBL21291343 0.73 DPP4 (0.33) DPP4EGFRRETKDRCTRC
SCHEMBL14838370 0.73 DPP4 (0.32) DPP4
SCHEMBL14838249 0.72 HDAC1 (0.31) DPP4
SCHEMBL21291337 0.72 PGR (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11124524-B2 Diarylethene compounds and uses thereof SOLUTIA CANADA INC. (US) 2021-09-21 US disclosed
US-20190256526-A1 DIARYLETHENE COMPOUNDS AND USES THEREOF SWITCH MATERIALS, INC. (CA) 2019-08-22 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-20190256526-A1 DIARYLETHENE COMPOUNDS AND USES THEREOF KCNH2, KCNH3, SCN2B DPP4 4383/4885EGFR 1177/4885RET 2230/4885
US-11124524-B2 Diarylethene compounds and uses thereof KCNH2, KCNH3, SCN2B DPP4 4383/4885EGFR 1177/4885RET 2230/4885

“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.