SCHEMBL14132815

SCHEMBL14132815

CCCN1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM2B Q8NHM5 1/20 0.62
▸ MCOLN3 Q8TDD5 1/20 0.58
▸ PKM P14618 2/20 0.56
▸ ALDH1A1 P00352 3/20 0.56
▸ LMNA P02545 2/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ ALOX15 P16050 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ TP53 P04637 2/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ NSD2 O96028 1/20 0.55
▸ MAPT P10636 1/20 0.54
▸ POLB P06746 3/20 0.53
▸ HTT P42858 1/20 0.53
▸ ATM Q13315 1/20 0.53
▸ GAA P10253 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ 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
SCHEMBL14923984 0.88 POLB (0.64) KDM2BMCOLN3PKMALDH1A1LMNA
SCHEMBL21894630 0.87 ALDH1A1 (0.57) MCOLN3PKMALDH1A1LMNASMN1; SMN2
SCHEMBL10723723 0.86 MCOLN3 (0.75) MCOLN3PKMALDH1A1LMNATP53
SCHEMBL12169395 0.85 KDM2B (0.65) KDM2BMCOLN3PKMALDH1A1LMNA
SCHEMBL23903013 0.84 MCOLN3 (0.60) MCOLN3PKMALDH1A1LMNASMN1; SMN2
SCHEMBL12169349 0.83 L3MBTL1 (0.69) PKMALDH1A1LMNASMN1; SMN2TP53
SCHEMBL11977000 0.83 ATM (0.70) MCOLN3ALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL16733908 0.82 ALDH1A1 (0.61) PKMALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL10724375 0.81 POLB (0.67) PKMSMN1; SMN2TP53MEN1KMT2A
SCHEMBL15249012 0.79 POLB (0.78) PKMALDH1A1LMNAMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130296364-A1 MODULATORS OF ATP-BINDING CASSETTE-TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-07 — — US disclosed
US-8324207-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-04 — — 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-20130296364-A1 MODULATORS OF ATP-BINDING CASSETTE-TRANSPORTERS CFTR, ABCB1, ABCC2 KDM2B 4519/4885MCOLN3 1275/4885PKM 3372/4885

“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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