SCHEMBL9972249

SCHEMBL9972249

O=C(Cn1ccc2ccc(C(F)(F)F)cc21)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.55
KMT2A Q03164 6/20 0.55
ALDH1A1 P00352 5/20 0.55
MAPT P10636 2/20 0.55
LMNA P02545 1/20 0.54
TSHR P16473 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
SCN3A Q9NY46 3/20 0.52
TDP1 Q9NUW8 3/20 0.52
RECQL P46063 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KDM4E B2RXH2 1/20 0.51
HPGD P15428 1/20 0.51
PKM P14618 3/20 0.51
POLB P06746 1/20 0.50
CTDSP1 Q9GZU7 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
SCHEMBL1102022 0.93 LMNA (0.56) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL9972237 0.89 MEN1 (0.58) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL9972233 0.87 ALDH1A1 (0.62) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL9972246 0.87 AVPR2 (0.59) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL1091775 0.85 SCN3A (0.64) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL1102103 0.84 ALDH1A1 (0.55) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL9972239 0.84 PKM (0.65) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL9974111 0.84 LMNA (0.57) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL1102104 0.84 PKM (0.54) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL9974115 0.83 MEN1 (0.58) MEN1KMT2AALDH1A1MAPTLMNA

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 MEN1 2329/4885KMT2A 3111/4885ALDH1A1 2811/4885

“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.