SCHEMBL9974136

SCHEMBL9974136

Cc1cc2cc(Cl)ccc2n1CCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 1/20 0.58
GPR27 Q9NS67 1/20 0.58
LMNA P02545 1/20 0.58
TSHR P16473 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
PKM P14618 2/20 0.54
SCN3A Q9NY46 3/20 0.54
SCN5A Q14524 1/20 0.54
SCN9A Q15858 1/20 0.54
PPIA P62937 2/20 0.54
KMT2A Q03164 6/20 0.53
MEN1 O00255 5/20 0.53
KDM4E B2RXH2 1/20 0.53
MAPT P10636 1/20 0.53
ALDH1A1 P00352 3/20 0.52
ALOX12 P18054 1/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL9972259 0.91 AVPR2 (0.58) AVPR2GPR27LMNATSHRSMN1; SMN2
SCHEMBL1102266 0.90 LMNA (0.58) LMNATSHRSMN1; SMN2PKMSCN3A
SCHEMBL1102123 0.89 PKM (0.62) LMNATSHRSMN1; SMN2PKMSCN3A
SCHEMBL1102270 0.87 AVPR2 (0.59) AVPR2GPR27LMNATSHRSMN1; SMN2
SCHEMBL1092055 0.84 AVPR2 (0.59) AVPR2GPR27LMNATSHRSMN1; SMN2
SCHEMBL9974130 0.82 ALDH1A1 (0.60) LMNATSHRSMN1; SMN2PKMSCN3A
SCHEMBL9974112 0.82 AVPR2 (0.59) AVPR2GPR27LMNATSHRSMN1; SMN2
SCHEMBL15113299 0.82 AVPR2 (0.65) AVPR2GPR27LMNASMN1; SMN2SCN3A
SCHEMBL9972257 0.81 MEN1 (0.56) LMNATSHRSMN1; SMN2PKMSCN3A
SCHEMBL9972254 0.80 SCN3A (0.61) LMNATSHRSMN1; SMN2PKMSCN3A

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-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-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 AVPR2 1442/4885GPR27 1810/4885LMNA 1374/4885

“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.