SCHEMBL9974113

SCHEMBL9974113

COc1cc2ccn(CC(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)c2cc1OC

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 5/20 0.58
LMNA P02545 1/20 0.55
TSHR P16473 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MEN1 O00255 7/20 0.54
KMT2A Q03164 7/20 0.54
ALDH1A1 P00352 5/20 0.54
MAPT P10636 2/20 0.54
SCN3A Q9NY46 1/20 0.53
TDP1 Q9NUW8 3/20 0.53
RECQL P46063 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
POLB P06746 1/20 0.53
MAPK1 P28482 1/20 0.53
KDM4E B2RXH2 1/20 0.52
HPGD P15428 1/20 0.52

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
SCHEMBL9974133 0.90 PKM (0.66) PKMLMNATSHRSMN1; SMN2MEN1
SCHEMBL9972239 0.89 PKM (0.65) PKMLMNATSHRSMN1; SMN2MEN1
SCHEMBL9974111 0.86 LMNA (0.57) PKMLMNATSHRSMN1; SMN2MEN1
SCHEMBL1102263 0.86 PKM (0.56) PKMLMNATSHRSMN1; SMN2MEN1
SCHEMBL1102104 0.86 PKM (0.54) PKMLMNATSHRSMN1; SMN2MEN1
SCHEMBL9974102 0.86 MEN1 (0.59) PKMLMNATSHRSMN1; SMN2MEN1
SCHEMBL9972233 0.86 ALDH1A1 (0.62) PKMLMNATSHRSMN1; SMN2MEN1
SCHEMBL12522877 0.86 ALDH1A1 (0.62) PKMLMNATSHRSMN1; SMN2MEN1
SCHEMBL9972241 0.85 MEN1 (0.59) PKMLMNATSHRSMN1; SMN2MEN1
SCHEMBL9974114 0.84 PKM (0.58) PKMLMNATSHRSMN1; SMN2MEN1

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 PKM 4054/4885LMNA 1374/4885TSHR 4176/4885

“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.