SCHEMBL25301235

SCHEMBL25301235

O=C(O)N1CC2(CN(Cc3ccc(S(=O)(=O)C(F)(F)F)cc3)C2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 8/20 0.43
▸ TEAD1 P28347 1/20 0.41
▸ CYP2D6 P10635 8/20 0.40
▸ CYP3A4 P08684 6/20 0.40
▸ TSHR P16473 4/20 0.40
▸ CYP1A2 P05177 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ PTPRZ1 P23471 1/20 0.40
▸ CYP2C9 P11712 1/20 0.39
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ MGLL Q99685 1/20 0.37
▸ HPGD P15428 1/20 0.37

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
SCHEMBL25255709 0.89 USP2 (0.47) USP2TEAD1CYP2D6CYP3A4TSHR
SCHEMBL25255725 0.83 RORC (0.53) TEAD1PTPRZ1MEN1KMT2AMGLL
SCHEMBL31308020 0.81 TEAD1 (0.44) USP2TEAD1CYP2D6CYP3A4TSHR
SCHEMBL25302240 0.80 TEAD1 (0.43) USP2TEAD1CYP2D6CYP3A4TSHR
SCHEMBL30409779 0.78 MGLL (0.36) USP2TEAD1MGLL
SCHEMBL30410149 0.76 TEAD1 (0.38) USP2TEAD1CYP2D6CYP3A4TSHR
SCHEMBL25326080 0.76 MGLL (0.40) USP2TEAD1CYP2D6CYP3A4TSHR
SCHEMBL27246379 0.76 MGLL (0.40) USP2TEAD1CYP2D6CYP3A4TSHR
SCHEMBL25255747 0.76 CYP2D6 (0.48) USP2CYP2D6CYP3A4TSHRCYP1A2
SCHEMBL27246331 0.74 MGLL (0.49) USP2TEAD1CYP2D6CYP3A4TSHR

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-11981661-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2024-05-14 — — US disclosed
EP-4208456-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2023-07-12 — — EP 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-11981661-B2 Heterocyclic compounds CBR3, BRIX1, CCNY USP2 3410/4885TEAD1 3855/4885CYP2D6 65/4885

“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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