SCHEMBL12689369

SCHEMBL12689369

CC(C)(C[C@H]1C[C@H](NC(=O)CC2(N)CCCCC2)C1)S(=O)(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ CACNA1B Q00975 3/20 0.38
▸ APEX1 P27695 1/20 0.37
▸ CCR2 P41597 8/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ SMYD3 Q9H7B4 1/20 0.37
▸ CNR1 P21554 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ F2 P00734 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
SCHEMBL12689512 1.00 LMNA (0.44) LMNAGAASMN1; SMN2NPSR1KMT2A
SCHEMBL12693134 0.88 LMNA (0.47) LMNAGAASMN1; SMN2NPSR1KMT2A
SCHEMBL15647079 0.82 KMT2A (0.43) LMNAGAASMN1; SMN2NPSR1KMT2A
Hydrochloric Acid SCHEMBL4541555 0.81 KMT2A (0.42) LMNAGAASMN1; SMN2NPSR1KMT2A
SCHEMBL12689367 0.80 MEN1 (0.50) SMN1; SMN2KMT2ACCR2MEN1
SCHEMBL12690371 0.80 MEN1 (0.50) SMN1; SMN2KMT2ACCR2MEN1
SCHEMBL12689385 0.78 LMNA (0.41) LMNAGAASMN1; SMN2NPSR1KMT2A
SCHEMBL12689317 0.78 LMNA (0.41) LMNAGAASMN1; SMN2NPSR1KMT2A
SCHEMBL12689463 0.78 LMNA (0.41) LMNAGAASMN1; SMN2NPSR1KMT2A
SCHEMBL12689460 0.78 LMNA (0.41) LMNAGAASMN1; SMN2NPSR1KMT2A

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-20120245137-A1 ARYL SULPHONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2012-09-27 — — US disclosed
US-20120245137-A1 ARYL SULPHONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2012-09-27 — — 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-20120245137-A1 ARYL SULPHONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1I, CACNA1G, CACNA1A LMNA 4030/4885GAA 1394/4885SMN1; SMN2 1699/4885

“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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