SCHEMBL12693125

SCHEMBL12693125

CNC1(CC(=O)N[C@H]2C[C@@H](C(C)(C)S(=O)(=O)c3cccc(C(F)(F)F)c3)C2)CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.45
▸ KMT2A Q03164 2/20 0.42
▸ CYP3A4 P08684 4/20 0.40
▸ CACNA1B Q00975 3/20 0.40
▸ NR1I2 O75469 1/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CCR2 P41597 7/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ SMYD3 Q9H7B4 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38

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
SCHEMBL12693059 0.88 GAA (0.37) GAALMNASMN1; SMN2NPSR1KMT2A
SCHEMBL12693181 0.88 GAA (0.37) GAALMNASMN1; SMN2NPSR1KMT2A
SCHEMBL12693134 0.88 LMNA (0.47) GAALMNASMN1; SMN2NPSR1KMT2A
SCHEMBL12693122 0.87 L3MBTL1 (0.38) GAALMNASMN1; SMN2CYP3A4CACNA1B
SCHEMBL12693187 0.87 L3MBTL1 (0.38) GAALMNASMN1; SMN2CYP3A4CACNA1B
SCHEMBL5019830 0.80 KMT2A (0.42) GAALMNASMN1; SMN2NPSR1KMT2A
SCHEMBL12689398 0.78 CYP3A4 (0.43) GAALMNASMN1; SMN2NPSR1KMT2A
SCHEMBL12689444 0.78 CYP3A4 (0.44) GAALMNASMN1; SMN2NPSR1KMT2A
SCHEMBL12689181 0.78 CYP3A4 (0.46) GAALMNASMN1; SMN2NPSR1KMT2A
SCHEMBL12689512 0.77 LMNA (0.44) GAALMNASMN1; 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 1 patent. 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

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 GAA 1394/4885LMNA 4030/4885SMN1; 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.

Send feedback