SCHEMBL3050973

SCHEMBL3050973

[CH2]Cc1cccc(S(=O)(=O)NCCCC)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
KMT2A Q03164 1/20 0.50
TSHR P16473 1/20 0.50
LMNA P02545 4/20 0.48
HTT P42858 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPK1 P28482 1/20 0.47
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
PRMT1 Q99873 1/20 0.46
FBP1 P09467 1/20 0.45
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CG P48736 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
ALOX12 P18054 1/20 0.44
NAMPT P43490 1/20 0.44
AKR1C3 P42330 1/20 0.44

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
SCHEMBL20202315 0.81 ALDH1A1 (0.66) ALDH1A1KMT2ATSHRLMNAHTT
SCHEMBL397008 0.80 ALDH1A1 (0.49) ALDH1A1KMT2ATSHRLMNASMN1; SMN2
SCHEMBL8548241 0.80 KMT2A (0.78) ALDH1A1KMT2ATSHRLMNAHTT
SCHEMBL922624 0.79 PRMT1 (0.62) ALDH1A1KMT2ATSHRLMNAHTT
SCHEMBL5702747 0.79 ALDH1A1 (0.63) ALDH1A1KMT2ATSHRLMNAHTT
SCHEMBL28765537 0.79 ALDH1A1 (0.59) ALDH1A1KMT2ATSHRLMNAHTT
SCHEMBL7427710 0.79 ALDH1A1 (0.59) ALDH1A1KMT2ATSHRLMNAHTT
SCHEMBL392741 0.79 ALDH1A1 (0.47) ALDH1A1KMT2ATSHRLMNAHTT
SCHEMBL3713687 0.78 KMT2A (0.56) ALDH1A1KMT2APRMT1AKR1C3
SCHEMBL3060871 0.78 L3MBTL1 (0.47) ALDH1A1KMT2ALMNASMN1; SMN2GAA

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 741/4885KMT2A 2904/4885TSHR 793/4885

“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.