SCHEMBL9972277

SCHEMBL9972277

O=C(CCn1ccc2cccc(Cl)c21)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.59
TSHR P16473 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
PKM P14618 1/20 0.58
MEN1 O00255 6/20 0.55
KMT2A Q03164 6/20 0.55
MAPT P10636 5/20 0.55
ALDH1A1 P00352 5/20 0.55
KDM4E B2RXH2 2/20 0.55
HPGD P15428 1/20 0.55
POLB P06746 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
HCRTR1 O43613 1/20 0.55
USP2 O75604 1/20 0.55
PPARG P37231 1/20 0.55
HTT P42858 1/20 0.55
NCOA2 Q15596 1/20 0.55
NCOA1 Q15788 1/20 0.55
NCOA3 Q9Y6Q9 1/20 0.55
SCN3A Q9NY46 3/20 0.55

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
SCHEMBL9974116 0.91 ALDH1A1 (0.61) LMNATSHRSMN1; SMN2PKMMEN1
SCHEMBL9972276 0.90 PKM (0.59) LMNATSHRSMN1; SMN2PKMMEN1
SCHEMBL1102120 0.86 SCN9A (0.47) LMNATSHRSMN1; SMN2PKMMEN1
SCHEMBL1102269 0.86 LMNA (0.59) LMNATSHRSMN1; SMN2PKMMEN1
SCHEMBL1102121 0.86 PKM (0.64) LMNATSHRSMN1; SMN2PKMMEN1
SCHEMBL1102029 0.85 LMNA (0.60) LMNATSHRSMN1; SMN2PKMMEN1
SCHEMBL1102102 0.84 ALDH1A1 (0.60) LMNAMEN1KMT2AMAPTALDH1A1
SCHEMBL1092055 0.83 AVPR2 (0.59) LMNATSHRSMN1; SMN2PKMMEN1
SCHEMBL1102270 0.83 AVPR2 (0.59) LMNATSHRSMN1; SMN2PKMMEN1
SCHEMBL1102117 0.82 MEN1 (0.53) LMNATSHRSMN1; SMN2PKMMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309543-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-13 US disclosed
US-8309543-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-13 US disclosed
US-20120238578-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-20 US disclosed
US-20120238578-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-20 US disclosed
US-8202861-B2 Drugs for various disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-19 US disclosed
US-8202861-B2 Drugs for various disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-19 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-20120238578-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS SCNN1G, KCNN3, KCNN2 LMNA 1374/4885TSHR 4176/4885SMN1; SMN2 524/4885

“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.