SCHEMBL1839403

SCHEMBL1839403

CC(=O)c1cn(S(=O)(=O)c2ccccc2)c2ccc(-c3ccccc3)cc12

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.71
▸ SMN1; SMN2 Q16637 1/20 0.71
▸ PLK1 P53350 1/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ HTR6 P50406 8/20 0.51
▸ BRD4 O60885 1/20 0.51
▸ AKR1C3 P42330 1/20 0.48
▸ AKR1C1 Q04828 1/20 0.48
▸ NR4A2 P43354 2/20 0.47
▸ TNF P01375 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ TNFSF11 O14788 1/20 0.44

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
SCHEMBL6765084 0.85 LMNA (0.71) LMNASMN1; SMN2PLK1MEN1KMT2A
SCHEMBL6769055 0.85 LMNA (0.71) LMNASMN1; SMN2PLK1MEN1KMT2A
SCHEMBL946621 0.85 LMNA (0.71) LMNASMN1; SMN2PLK1MEN1KMT2A
SCHEMBL30393652 0.84 LMNA (1.00) LMNASMN1; SMN2PLK1MEN1KMT2A
SCHEMBL949716 0.84 LMNA (1.00) LMNASMN1; SMN2PLK1MEN1KMT2A
SCHEMBL6765180 0.81 LMNA (0.65) LMNASMN1; SMN2PLK1MEN1KMT2A
SCHEMBL28791772 0.79 HTR6 (0.48) LMNASMN1; SMN2PLK1MEN1KMT2A
SCHEMBL6768288 0.79 LMNA (0.59) LMNASMN1; SMN2PLK1MEN1KMT2A
SCHEMBL12344906 0.78 HTR6 (0.64) LMNASMN1; SMN2PLK1MEN1KMT2A
SCHEMBL30394720 0.78 LMNA (0.68) LMNASMN1; SMN2PLK1MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201599-A1 CDK Modulators EXELIXIS, INC. (US) 2011-08-18 — — US disclosed
EP-2320895-A2 CDK MODULATORS Exelixis, Inc. (US) 2011-05-18 — — EP disclosed
WO-2010003133-A2 CDK MODULATORS EXELIXIS INC. (US) 2010-01-07 — — 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-20110201599-A1 CDK Modulators CDK3, CDK1, CDKL1 LMNA 2517/4885SMN1; SMN2 1814/4885PLK1 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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