SCHEMBL24780794

SCHEMBL24780794

C=CC(O)N1CC[C@H](Nc2cc(C(F)(F)F)ccc2C)C1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TEAD1 P28347 8/20 0.41
▸ IL1B P01584 6/20 0.37
▸ NLRP3 Q96P20 2/20 0.37
▸ ACACB O00763 1/20 0.35
▸ UBE2M P61081 2/20 0.35
▸ DCUN1D1 Q96GG9 2/20 0.35
▸ TAS2R14 Q9NYV8 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
SCHEMBL24781071 0.80 TEAD1 (0.45) TEAD1UBE2MDCUN1D1
SCHEMBL21958248 0.79 TEAD1 (0.60) TEAD1
SCHEMBL24781273 0.75 RHOC (0.40) TEAD1IL1BUBE2MDCUN1D1
SCHEMBL21856343 0.72 TAS2R14 (0.37) TEAD1IL1BNLRP3UBE2MDCUN1D1
SCHEMBL25785380 0.71 TEAD1 (0.50) TEAD1
SCHEMBL21958962 0.68 TEAD1 (0.57) TEAD1
SCHEMBL21958174 0.68 TEAD1 (0.57) TEAD1
SCHEMBL21958748 0.66 TEAD1 (0.60) TEAD1
SCHEMBL21958155 0.66 TEAD1 (0.60) TEAD1
SCHEMBL20170132 0.62 GABBR2 (0.36) IL1BNLRP3

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-20220402869-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-12-22 — — 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 (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-20220402869-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF TEAD1, TEAD4, TEAD2 TEAD1 1/4885IL1B 3792/4885NLRP3 1181/4885

“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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