SCHEMBL21958811

SCHEMBL21958811

C=CC(=O)N1C[C@@H](Nc2cccc(C(F)(F)F)c2)[C@H](c2cccc(S(C)(=O)=O)c2)C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SLC6A9 P48067 4/20 0.46
▸ TEAD1 P28347 3/20 0.45
▸ EGFR P00533 2/20 0.44
▸ CACNA1B Q00975 2/20 0.42
▸ DCUN1D1 Q96GG9 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ BTK Q06187 1/20 0.40
▸ GRIN2B Q13224 1/20 0.39
▸ NR1I2 O75469 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ IDH2 P48735 1/20 0.38
▸ NR1H2 P55055 1/20 0.38
▸ NR1H3 Q13133 1/20 0.38

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
SCHEMBL25785738 0.87 SLC6A9 (0.43) SLC6A9EGFRBTKALDH1A1
SCHEMBL24781284 0.86 SLC6A9 (0.52) SLC6A9TEAD1EGFRDCUN1D1BTK
SCHEMBL25785736 0.84 KIF18A (0.40) SLC6A9EGFRBTKALDH1A1NR1H2
SCHEMBL23592000 0.84 TEAD1 (0.48) SLC6A9TEAD1EGFRDCUN1D1BTK
SCHEMBL24780804 0.84 TEAD1 (0.48) SLC6A9TEAD1EGFRDCUN1D1BTK
SCHEMBL21958108 0.81 SLC6A9 (0.56) SLC6A9TEAD1EGFRDCUN1D1BTK
SCHEMBL21958782 0.79 TEAD1 (0.49) TEAD1CACNA1BDCUN1D1NR1I2NR1H2
SCHEMBL21958167 0.78 TEAD1 (0.54) TEAD1EGFRDCUN1D1BTKGRIN2B
SCHEMBL21958800 0.77 SLC6A9 (0.42) SLC6A9TEAD1EGFRDCUN1D1BTK
SCHEMBL21958241 0.76 TEAD1 (0.50) TEAD1EGFRDCUN1D1KDM4EBTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192607-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-06-22 — — US disclosed
US-20220402869-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-12-22 — — US disclosed
WO-2021133896-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-07-01 — — WO disclosed
WO-2020081572-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-04-23 — — 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 (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-20230192607-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF TEAD1, TEAD4, TEAD2 SLC6A9 1179/4885TEAD1 1/4885EGFR 3966/4885
US-20220402869-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF TEAD1, TEAD4, TEAD2 SLC6A9 1701/4885TEAD1 1/4885EGFR 2755/4885

“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.

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