SCHEMBL1332113

SCHEMBL1332113

Cc1ccc(S(=O)(=O)OCCOc2ccccc2Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 8/20 0.52
MAPT P10636 6/20 0.52
RAB9A P51151 3/20 0.52
NPC1 O15118 2/20 0.52
HPGD P15428 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA9 Q16790 1/20 0.45
ALDH1A1 P00352 1/20 0.45
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
PKM P14618 1/20 0.42
VDR P11473 1/20 0.42

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
SCHEMBL9369968 0.84 L3MBTL1 (0.52) L3MBTL1MAPTRAB9ANPC1HPGD
SCHEMBL12453521 0.84 L3MBTL1 (0.55) L3MBTL1MAPTRAB9AHPGDCYP1A2
SCHEMBL1928600 0.83 L3MBTL1 (0.49) L3MBTL1MAPTRAB9ANPC1HPGD
SCHEMBL26987755 0.82 ALDH1A1 (0.58) L3MBTL1MAPTHPGDSMN1; SMN2CYP1A2
SCHEMBL8875814 0.81 CA12 (0.44) L3MBTL1KMT2AMEN1CA12CA1
SCHEMBL5637449 0.81 HTR1B (0.48) HPGDKMT2AMEN1CA12CA1
SCHEMBL5640238 0.80 CA12 (0.43) L3MBTL1MAPTKMT2AMEN1CA12
SCHEMBL241884 0.79 CA1 (0.52) HPGDSMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL1395593 0.79 CA12 (0.55) L3MBTL1RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL19326871 0.79 CA12 (0.42) L3MBTL1MAPTHPGDSMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183374-B2 Piperidine and piperazine derivatives M'S SCIENCE CORPORATION (JP) 2012-05-22 US disclosed
US-20110281890-A1 Piperidine and piperazine derivatives M'S SCIENCE CORPORATION 2011-11-17 US disclosed
EP-1978959-B1 PIPERIDINE AND PIPERAZINE DERIVATIVES MS SCIENCE CORP (JP) 2011-11-09 EP disclosed
EP-2340835-A1 Piperidine and piperazine derivatives M's Science Corporation (JP) 2011-07-06 EP disclosed
EP-1976525-B1 PIPERIDINE AND PIPERAZINE DERIVATIVES MS SCIENCE CORP (JP) 2010-11-03 EP disclosed
US-20100256162-A1 Piperazine and Piperidine Derivatives AGY THERAPEUTICS, INC. (US) 2010-10-07 US disclosed
US-20100137334-A1 Piperidine and Piperazine Derivatives SUN CONNIE L 2010-06-03 US disclosed
EP-1978959-A4 PIPERIDINE AND PIPERAZINE DERIVATIVES MS SCIENCE CORP (JP) 2009-09-02 EP disclosed
EP-1976525-A4 PIPERIDINE AND PIPERAZINE DERIVATIVES MS SCIENCE CORP (JP) 2009-07-15 EP disclosed
EP-1978959-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES M's Science Corporation (JP) 2008-10-15 EP disclosed
EP-1976525-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES M's Science Corporation (JP) 2008-10-08 EP disclosed
WO-2008096189-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES M'S SCIENCE CORPORATION (JP) 2008-08-14 WO disclosed
WO-2007089462-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES M'S SCIENCE CORPORATION (JP) 2007-08-09 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 (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-20100137334-A1 Piperidine and Piperazine Derivatives SIGMAR1, OPRM1, OPRD1 L3MBTL1 1911/4885MAPT 2819/4885RAB9A 3006/4885
US-20110281890-A1 Piperidine and piperazine derivatives SIGMAR1, OPRM1, OPRD1 L3MBTL1 1744/4885MAPT 2711/4885RAB9A 3058/4885
US-20100256162-A1 Piperazine and Piperidine Derivatives SIGMAR1, OPRM1, OPRD1 L3MBTL1 1771/4885MAPT 2701/4885RAB9A 3106/4885

“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.