SCHEMBL9974093

SCHEMBL9974093

COc1ccc2c(c1)cc(C)n2CC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 5/20 0.64
ALOX12 P18054 1/20 0.55
PTPN1 P18031 1/20 0.53
PTPN11 Q06124 1/20 0.53
PTPN22 Q9Y2R2 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 1/20 0.53
TSHR P16473 1/20 0.53
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
POLB P06746 4/20 0.52
MAPT P10636 3/20 0.52
MCL1 Q07820 2/20 0.52
USP2 O75604 1/20 0.52
NPC1 O15118 1/20 0.52
SCN3A Q9NY46 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
SCHEMBL9974130 0.90 ALDH1A1 (0.60) PKMSMN1; SMN2LMNATSHRALDH1A1
SCHEMBL9974133 0.88 PKM (0.66) PKMALOX12PTPN1PTPN11PTPN22
SCHEMBL9972257 0.88 MEN1 (0.56) PKMSMN1; SMN2LMNATSHRALDH1A1
SCHEMBL9972259 0.88 AVPR2 (0.58) PKMALOX12SMN1; SMN2LMNATSHR
SCHEMBL9972254 0.87 SCN3A (0.61) PKMSMN1; SMN2LMNATSHRALDH1A1
SCHEMBL9972239 0.84 PKM (0.65) PKMALOX12PTPN1PTPN11PTPN22
SCHEMBL15113361 0.81 PKM (0.58) PKMALOX12PTPN1PTPN11PTPN22
SCHEMBL9974136 0.80 AVPR2 (0.58) PKMALOX12SMN1; SMN2LMNATSHR
SCHEMBL1102266 0.80 LMNA (0.58) PKMSMN1; SMN2LMNATSHRALDH1A1
SCHEMBL12522877 0.79 ALDH1A1 (0.62) PKMSMN1; SMN2LMNATSHRALDH1A1

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 4054/4885ALOX12 3310/4885PTPN1 1715/4885

“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.