SCHEMBL24631405

SCHEMBL24631405

CNS(=O)(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)c(-c2ccc3c(c2)OCC(=O)N3)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.42
▸ KIF11 P52732 1/20 0.41
▸ MCL1 Q07820 1/20 0.41
▸ POLB P06746 2/20 0.41
▸ TSHR P16473 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ CYP11B1 P15538 1/20 0.37
▸ CYP11B2 P19099 1/20 0.37
▸ MOGAT2 Q3SYC2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ PKM P14618 3/20 0.36
▸ MAPK1 P28482 1/20 0.36

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
SCHEMBL30868583 1.00 LMNA (0.42) LMNAKIF11MCL1POLBTSHR
SCHEMBL24631313 0.93 LMNA (0.48) LMNAMCL1POLBABL1SMN1; SMN2
SCHEMBL30868578 0.93 LMNA (0.48) LMNAMCL1POLBABL1SMN1; SMN2
SCHEMBL30868613 0.85 KIF11 (0.45) KIF11BRD4MOGAT2ALDH1A1PKM
SCHEMBL24631163 0.85 KIF11 (0.45) KIF11BRD4MOGAT2ALDH1A1PKM
SCHEMBL24631196 0.83 BRD4 (0.38) LMNAKIF11MCL1ABL1BRD4
SCHEMBL30868556 0.83 BRD4 (0.38) LMNAKIF11MCL1ABL1BRD4
SCHEMBL24631240 0.83 MAPT (0.44) LMNAPOLBABL1BRD4SMN1; SMN2
SCHEMBL24631171 0.77 BRAF (0.45) LMNAPOLBBRD4SMN1; SMN2PKM
SCHEMBL30868535 0.77 BRAF (0.45) LMNAPOLBBRD4SMN1; SMN2PKM

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-20240083903-A1 ARYL ETHER COMPOUNDS AS TEAD MODULATORS MERCK SHARP & DOHME LLC (US) 2024-03-14 — — US disclosed
WO-2022177869-A1 ARYL ETHER COMPOUNDS AS TEAD MODULATORS MERCK SHARP & DOHME LLC (US) 2022-08-25 — — 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-20240083903-A1 ARYL ETHER COMPOUNDS AS TEAD MODULATORS TEAD2, TEAD3, TEAD4 LMNA 4282/4885KIF11 2051/4885MCL1 2504/4885

“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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