SCHEMBL21565892

SCHEMBL21565892

C=CC(=O)N1CCN(S)C(C(F)(F)F)C1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 11/20 0.36
TEAD3 Q99594 1/20 0.31
BTK Q06187 3/20 0.30
JAK3 P52333 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
SCHEMBL21741246 0.80 TEAD1 (0.36) TEAD1BTKJAK3
SCHEMBL23735830 0.76 TEAD1 (0.39) TEAD1TEAD3BTKJAK3
SCHEMBL20326324 0.76 TEAD1 (0.39) TEAD1BTK
SCHEMBL27280649 0.74 TEAD1 (0.40) TEAD1BTK
SCHEMBL21741284 0.72 TET3 (0.36) TEAD1TEAD3BTKJAK3
SCHEMBL20326297 0.71 JAK3 (0.38) TEAD1JAK3
SCHEMBL29945209 0.69 TEAD1 (0.36) TEAD1BTKJAK3
SCHEMBL20849664 0.67 DPP4 (0.42) TEAD1TEAD3JAK3
SCHEMBL24689072 0.67 DPP4 (0.42) TEAD1TEAD3JAK3
SCHEMBL20399740 0.67 DPP4 (0.42) TEAD1TEAD3JAK3

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-10988485-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2021-04-27 US disclosed
US-20190345169-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2019-11-14 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-20190345169-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS TEAD1 2412/4885TEAD3 3189/4885BTK 3723/4885
US-10988485-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS TEAD1 2412/4885TEAD3 3189/4885BTK 3723/4885

“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.