SCHEMBL9972275

SCHEMBL9972275

CC1Cc2ccccc2N1CCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.59
LMNA P02545 1/20 0.58
TSHR P16473 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
MEN1 O00255 7/20 0.56
KMT2A Q03164 7/20 0.56
ALDH1A1 P00352 5/20 0.56
SCN3A Q9NY46 2/20 0.56
MAPT P10636 4/20 0.54
CYP3A4 P08684 2/20 0.54
POLB P06746 2/20 0.54
MCL1 Q07820 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
PTGS1 P23219 1/20 0.54
TDP1 Q9NUW8 3/20 0.53
KDM4E B2RXH2 2/20 0.51
HPGD P15428 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
SCHEMBL1091667 0.91 TDP1 (0.65) PKMLMNATSHRSMN1; SMN2MEN1
SCHEMBL1102131 0.86 MAPT (0.53) PKMLMNATSHRSMN1; SMN2MEN1
SCHEMBL1102070 0.82 CHRM2 (0.65) PKMLMNATSHRSMN1; SMN2MEN1
SCHEMBL9974117 0.82 SCN3A (0.59) PKMLMNATSHRSMN1; SMN2MEN1
SCHEMBL1102260 0.80 CHRM2 (0.73) PKMLMNATSHRSMN1; SMN2MEN1
SCHEMBL9974094 0.80 MEN1 (0.57) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL15113548 0.78 MEN1 (0.67) PKMLMNATSHRSMN1; SMN2MEN1
SCHEMBL12453045 0.77 MEN1 (0.70) PKMLMNATSHRSMN1; SMN2MEN1
SCHEMBL15113532 0.77 MEN1 (0.58) PKMTSHRSMN1; SMN2MEN1KMT2A
SCHEMBL1101963 0.76 LMNA (0.79) 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 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 4054/4885LMNA 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.