SCHEMBL12344738

SCHEMBL12344738

CC(C)CS(=O)(=O)c1nc2ccccc2s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.60
▸ MAPT P10636 5/20 0.60
▸ HTT P42858 5/20 0.60
▸ LMNA P02545 4/20 0.60
▸ KMT2A Q03164 4/20 0.60
▸ MEN1 O00255 1/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ PSMB8 P28062 1/20 0.58
▸ PSMB5 P28074 1/20 0.58
▸ CA12 O43570 1/20 0.57
▸ CA1 P00915 1/20 0.57
▸ CA2 P00918 1/20 0.57
▸ CA4 P22748 1/20 0.57
▸ CA7 P43166 1/20 0.57
▸ CA14 Q9ULX7 1/20 0.57
▸ SMN1; SMN2 Q16637 4/20 0.55
▸ TP53 P04637 1/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ ALOX15 P16050 1/20 0.46

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
SCHEMBL3595617 0.83 ALDH1A1 (0.67) ALDH1A1MAPTHTTLMNAKMT2A
SCHEMBL30149949 0.83 ALDH1A1 (0.67) ALDH1A1MAPTHTTLMNAKMT2A
SCHEMBL12344745 0.81 ALDH1A1 (0.60) ALDH1A1MAPTHTTLMNAKMT2A
SCHEMBL18797576 0.80 ALDH1A1 (0.49) ALDH1A1MAPTHTTLMNAKMT2A
SCHEMBL18821334 0.79 ALDH1A1 (0.51) ALDH1A1MAPTHTTLMNAKMT2A
SCHEMBL29023732 0.79 ALDH1A1 (0.51) ALDH1A1MAPTHTTLMNAKMT2A
SCHEMBL9636277 0.79 ALDH1A1 (0.65) ALDH1A1MAPTHTTLMNAKMT2A
SCHEMBL7905772 0.79 ALDH1A1 (0.65) ALDH1A1MAPTHTTLMNAKMT2A
SCHEMBL7646253 0.79 ALDH1A1 (0.65) ALDH1A1MAPTHTTLMNAKMT2A
SCHEMBL10047096 0.79 PSMB8 (0.64) ALDH1A1MAPTHTTLMNAKMT2A

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-8470763-B2 Alpha-amino-N-substituted amides, pharmaceutical composition containing them and uses thereof SHANGHAI INSTITUTE OF MATERIA MEDICA CHINESE ACADEMY OF SCIENCES (CN) 2013-06-25 — — US disclosed
US-8470763-B2 Alpha-amino-N-substituted amides, pharmaceutical composition containing them and uses thereof SHANGHAI INSTITUTE OF MATERIA MEDICA CHINESE ACADEMY OF SCIENCES (CN) 2013-06-25 — — US disclosed
EP-2233467-B1 ALPHA-AMINO-N-SUBSTITUTED AMIDES, PHARMACEUTICAL COMPOSITION CONTAINING THEM AND USES THEREOF SHANGHAI INST MATERIA MEDICA (CN) 2012-09-19 — — EP disclosed
US-20110021624-A1 Alpha-Amino-N-Substituted Amides, Pharmaceutical Composition Containing Them and Uses Thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2011-01-27 — — US disclosed
US-20110021624-A1 Alpha-Amino-N-Substituted Amides, Pharmaceutical Composition Containing Them and Uses Thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2011-01-27 — — US disclosed
EP-2233467-A1 ALPHA-AMINO-N-SUBSTITUTED AMIDES, PHARMACEUTICAL COMPOSITION CONTAINING THEM AND USES THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2010-09-29 — — EP 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-20110021624-A1 Alpha-Amino-N-Substituted Amides, Pharmaceutical Composition Containing Them and Uses Thereof AADAT, ASNS, AANAT ALDH1A1 612/4885MAPT 1742/4885HTT 2445/4885

“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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