SCHEMBL22073609

SCHEMBL22073609

CC(C)(C)OC(=O)Nc1cc(OC(F)F)c(C#N)cc1N

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.40
AAK1 Q2M2I8 15/20 0.40
EGLN2 Q96KS0 1/20 0.37
AR P10275 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL20096641 0.82 TRPA1 (0.46) TRPA1AAK1EGLN2AR
SCHEMBL29430592 0.82 TRPA1 (0.46) TRPA1AAK1EGLN2AR
SCHEMBL38662242 0.81 AR (0.46) TRPA1AAK1EGLN2AR
SCHEMBL24121371 0.80 TRPA1 (0.37) TRPA1AAK1EGLN2AR
SCHEMBL29430661 0.79 HSP90AA1 (0.37) TRPA1AAK1EGLN2
SCHEMBL6162611 0.77 TRPA1 (0.38) TRPA1AAK1EGLN2AR
SCHEMBL6164607 0.77 TRPA1 (0.40) TRPA1AAK1EGLN2
SCHEMBL6165021 0.74 NPSR1 (0.40) AAK1SMN1; SMN2
SCHEMBL6165595 0.74 TRPA1 (0.36) TRPA1AAK1EGLN2ARSMN1; SMN2
SCHEMBL18034635 0.74 TRPA1 (0.43) TRPA1AAK1EGLN2AR

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-20210395256-A1 TYROSINE KINASE INHIBITORS, COMPOSITIONS AND METHODS THERE OF BETTA PHARMACEUTICALS CO., LTD. (CN) 2021-12-23 US disclosed
WO-2020114499-A1 TYROSINE KINASE INHIBITORS, COMPOSITIONS AND METHODS THERE OF BETTA PHARMACEUTICALS CO., LTD (CN) 2020-06-11 WO 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-20210395256-A1 TYROSINE KINASE INHIBITORS, COMPOSITIONS AND METHODS THERE OF ABL1, LCK, ERBB2 TRPA1 4696/4885AAK1 369/4885EGLN2 1349/4885

“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.