SCHEMBL14683454

SCHEMBL14683454

Cc1ccc(S(=O)(=O)CC(=O)N2CCN(c3ccc([SH](=O)=O)cc3)CC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.61
▸ HSD17B10 Q99714 1/20 0.61
▸ MAPT P10636 5/20 0.58
▸ HTT P42858 3/20 0.58
▸ LMNA P02545 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ TP53 P04637 1/20 0.48
▸ POLB P06746 2/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ GFER P55789 1/20 0.46
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL23544872 0.78 MAPT (0.56) ALDH1A1HSD17B10MAPTHTTLMNA
SCHEMBL7838255 0.74 HTT (0.61) ALDH1A1MAPTHTTLMNASMN1; SMN2
SCHEMBL2626168 0.74 ALDH1A1 (0.49) ALDH1A1HSD17B10MAPTHTTLMNA
SCHEMBL16994768 0.72 MEN1 (0.63) ALDH1A1MAPTHTTLMNASMN1; SMN2
SCHEMBL14924441 0.72 AKR1C3 (0.65) ALDH1A1MAPTHTTLMNASMN1; SMN2
SCHEMBL22542013 0.70 HTT (0.59) ALDH1A1MAPTHTTLMNASMN1; SMN2
SCHEMBL12916359 0.70 HTT (0.59) ALDH1A1MAPTHTTLMNASMN1; SMN2
SCHEMBL25840501 0.69 MAPT (0.64) ALDH1A1MAPTHTTLMNASMN1; SMN2
SCHEMBL22542017 0.68 HTT (0.57) ALDH1A1MAPTHTTLMNASMN1; SMN2
SCHEMBL24681638 0.68 MAPT (0.68) ALDH1A1MAPTHTTTP53POLB

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-8586589-B2 Piperidine and piperazine phenyl sulfonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-19 — — US disclosed
US-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-07 — — US disclosed
US-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-07 — — 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-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels TRPV1, TRPV5, TRPA1 ALDH1A1 2251/4885HSD17B10 4319/4885MAPT 3129/4885

“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.

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