SCHEMBL10067641

SCHEMBL10067641

CC(CCO)C(=O)Nc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.59
ACE P12821 1/20 0.59
ALDH1A1 P00352 5/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
MAPT P10636 4/20 0.54
GAA P10253 2/20 0.54
LMNA P02545 1/20 0.54
ATM Q13315 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
HSD17B10 Q99714 3/20 0.53
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
TSHR P16473 2/20 0.53
SMN1; SMN2 Q16637 4/20 0.51
POLB P06746 1/20 0.50
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA14 Q9ULX7 1/20 0.48

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
SCHEMBL1491201 0.86 HSD17B10 (0.69) MMEACEALDH1A1MEN1KMT2A
SCHEMBL31290862 0.86 MME (0.59) MMEACEALDH1A1MEN1KMT2A
SCHEMBL8027661 0.85 MME (0.63) MMEACEALDH1A1MEN1KMT2A
SCHEMBL27477626 0.84 MME (0.58) MMEACEALDH1A1MEN1KMT2A
SCHEMBL9761683 0.84 MME (0.61) MMEACEALDH1A1MEN1KMT2A
SCHEMBL28855894 0.83 ALDH1A1 (0.62) MMEACEALDH1A1MEN1KMT2A
SCHEMBL18456226 0.81 MME (0.63) MMEACEALDH1A1MEN1KMT2A
SCHEMBL4151615 0.81 MME (0.63) MMEACEALDH1A1MEN1KMT2A
SCHEMBL12205972 0.81 MME (0.63) MMEACEALDH1A1MEN1KMT2A
SCHEMBL11659676 0.81 ALDH1A1 (0.61) MMEACEALDH1A1MEN1KMT2A

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-8841282-B2 Pyrrolidinone benzenesulfonamide derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-23 US disclosed
US-8097636-B2 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-17 US disclosed
US-20120010416-A1 PYRROLIDINONE BENZENESULFONAMIDE DERIVATIVES AS MODULATORS OF ION CHANNELS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-12 US disclosed
US-7994166-B2 Pyrrolidinone benzenesulfonamide derivatives as modulators of ion channels for the treatment of pain VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-09 US disclosed
US-20090131440-A1 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2009-05-21 US disclosed
US-20090124655-A1 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2009-05-14 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 (3 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-20090131440-A1 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, KCNN3 MME 3749/4885ACE 2640/4885ALDH1A1 1645/4885
US-20120010416-A1 PYRROLIDINONE BENZENESULFONAMIDE DERIVATIVES AS MODULATORS OF ION CHANNELS FOR THE TREATMENT OF PAIN TRPV1, TRPV5, TRPA1 MME 3629/4885ACE 2143/4885ALDH1A1 2328/4885
US-20090124655-A1 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, KCNN3 MME 3749/4885ACE 2640/4885ALDH1A1 1645/4885

“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.