SCHEMBL3056465

SCHEMBL3056465

[CH2]CCc1ccc(S(=O)(=O)NCC(C)C)cc1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.69
HSD17B10 Q99714 2/20 0.53
MAPT P10636 1/20 0.53
LMNA P02545 4/20 0.52
GAA P10253 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
HPGD P15428 1/20 0.48
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
GBA1 P04062 1/20 0.47
TSHR P16473 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
SCHEMBL28024040 0.84 ALDH1A1 (0.69) ALDH1A1HSD17B10MAPTLMNAGAA
SCHEMBL3064986 0.81 ALDH1A1 (0.64) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL15780652 0.81 ALDH1A1 (0.75) ALDH1A1LMNAGAAMEN1KMT2A
SCHEMBL7266853 0.80 ALDH1A1 (0.63) ALDH1A1HSD17B10MAPTLMNAGAA
SCHEMBL20946436 0.80 ALDH1A1 (0.73) ALDH1A1HSD17B10MAPTLMNAGAA
SCHEMBL15771953 0.80 ALDH1A1 (0.73) ALDH1A1HSD17B10MAPTLMNAGAA
Bromide SCHEMBL15772330 0.79 ALDH1A1 (0.71) ALDH1A1HSD17B10MAPTLMNAGAA
SCHEMBL21961147 0.78 ALDH1A1 (0.60) ALDH1A1HSD17B10MAPTLMNAGAA
SCHEMBL7862567 0.78 GBA1 (0.74) ALDH1A1GAAMEN1KMT2ASMN1; SMN2
SCHEMBL22624844 0.77 ALDH1A1 (0.58) ALDH1A1HSD17B10MAPTLMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US disclosed
EP-2207773-B1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMA CO LTD (JP) 2012-07-11 EP disclosed
US-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-10-14 US disclosed
EP-2207773-A2 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF Otsuka Pharmaceutical Co., Ltd. (JP) 2010-07-21 EP disclosed
WO-2009057811-A2 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-05-07 WO 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-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF COL1A1, COL2A1, COL14A1 ALDH1A1 741/4885HSD17B10 537/4885MAPT 4138/4885

“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.