SCHEMBL9972248

SCHEMBL9972248

COc1cc(Cl)c2ccn(CC(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)c2c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.59
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
LMNA P02545 1/20 0.52
TSHR P16473 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ALOX12 P18054 1/20 0.51
ALDH1A1 P00352 3/20 0.51
MAPT P10636 1/20 0.51
SCN3A Q9NY46 1/20 0.50
AVPR2 P30518 1/20 0.50
GPR27 Q9NS67 1/20 0.50
PTPN1 P18031 1/20 0.50
PTPN11 Q06124 1/20 0.50
PTPN22 Q9Y2R2 1/20 0.50
RECQL P46063 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL9972239 0.86 PKM (0.65) PKMMEN1KMT2ALMNATSHR
SCHEMBL9974133 0.85 PKM (0.66) PKMMEN1KMT2ALMNATSHR
SCHEMBL9972245 0.85 MAPT (0.60) PKMMEN1KMT2ALMNATSHR
SCHEMBL9972241 0.82 MEN1 (0.59) PKMMEN1KMT2ALMNATSHR
SCHEMBL9974111 0.82 LMNA (0.57) PKMMEN1KMT2ALMNATSHR
SCHEMBL9974113 0.81 PKM (0.58) PKMMEN1KMT2ALMNATSHR
SCHEMBL9974112 0.81 AVPR2 (0.59) MEN1KMT2ALMNATSHRSMN1; SMN2
SCHEMBL1102263 0.80 PKM (0.56) PKMMEN1KMT2ALMNATSHR
SCHEMBL1102092 0.80 ALDH1A1 (0.55) PKMMEN1KMT2ALMNATSHR
SCHEMBL12522877 0.79 ALDH1A1 (0.62) PKMMEN1KMT2ALMNATSHR

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 PKM 4054/4885MEN1 2329/4885KMT2A 3111/4885

“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.