SCHEMBL24631313

SCHEMBL24631313

CNS(=O)(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)c(-c2ccc3c(c2)NC(=O)CO3)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ PKM P14618 5/20 0.42
▸ PIK3CD O00329 1/20 0.42
▸ PIK3R1 P27986 1/20 0.42
▸ MTOR P42345 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ ABL1 P00519 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ MCL1 Q07820 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40

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
SCHEMBL30868578 1.00 LMNA (0.48) LMNASMN1; SMN2PKMPIK3CDPIK3R1
SCHEMBL30868583 0.93 LMNA (0.42) LMNASMN1; SMN2PKMMAPK1ABL1
SCHEMBL24631405 0.93 LMNA (0.42) LMNASMN1; SMN2PKMMAPK1ABL1
SCHEMBL30868613 0.83 KIF11 (0.45) PKMALDH1A1
SCHEMBL24631163 0.83 KIF11 (0.45) PKMALDH1A1
SCHEMBL24631196 0.83 BRD4 (0.38) LMNASMN1; SMN2PKMMAPK1ABL1
SCHEMBL30868556 0.83 BRD4 (0.38) LMNASMN1; SMN2PKMMAPK1ABL1
SCHEMBL24631240 0.83 MAPT (0.44) LMNASMN1; SMN2PKMMAPK1ABL1
SCHEMBL24631171 0.77 BRAF (0.45) LMNASMN1; SMN2PKMMAPK1KMT2A
SCHEMBL30868535 0.77 BRAF (0.45) LMNASMN1; SMN2PKMMAPK1KMT2A

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 4282/4885SMN1; SMN2 3936/4885PKM 2600/4885

“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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