SCHEMBL1783722

SCHEMBL1783722

Cc1ccc(S(=O)(=O)OCN2CCCCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MITF O75030 1/20 0.50
RAB9A P51151 1/20 0.50
PAX8 Q06710 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
MBTD1 Q05BQ5 1/20 0.49
ALDH1A1 P00352 5/20 0.48
HSD17B10 Q99714 1/20 0.48
PKM P14618 2/20 0.46
TSHR P16473 1/20 0.46
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45
VDR P11473 1/20 0.44
GAA P10253 2/20 0.44
KDM4E B2RXH2 2/20 0.43
TP53 P04637 1/20 0.43
GLA P06280 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL10512456 0.98 L3MBTL1 (0.50) KMT2AMEN1SMN1; SMN2MITFRAB9A
SCHEMBL7414768 0.95 PKM (0.50) KMT2AMEN1SMN1; SMN2MITFRAB9A
SCHEMBL28075446 0.84 HTR6 (0.44) RAB9AALDH1A1PKMPOLBHTT
SCHEMBL2491906 0.84 MBTD1 (0.54) KMT2AMEN1SMN1; SMN2MITFRAB9A
SCHEMBL8915376 0.83 L3MBTL1 (0.50) KMT2ASMN1; SMN2L3MBTL1ALDH1A1TSHR
SCHEMBL19733679 0.82 MBTD1 (0.55) KMT2AMEN1SMN1; SMN2MITFRAB9A
SCHEMBL2490457 0.81 L3MBTL1 (0.58) KMT2AMEN1SMN1; SMN2MITFRAB9A
Hydrochloric Acid SCHEMBL9449150 0.80 L3MBTL1 (0.57) KMT2AMEN1SMN1; SMN2MITFRAB9A
SCHEMBL631561 0.79 KMT2A (0.50) KMT2AMEN1SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL9162804 0.79 L3MBTL1 (0.56) L3MBTL1MBTD1HTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0812827-A1 Piperidine derivative as intermediates for the preparation of paroxetine and process for their preparation SUMIKA FINE CHEMICALS Co., Ltd. (JP) 1997-12-17 EP claimed
US-20200399255-A1 8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2020-12-24 US disclosed
US-20180273516-A1 8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2018-09-27 US disclosed
US-20170197949-A1 8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2017-07-13 US disclosed
US-8609673-B2 Vandetanib derivatives CONCERT PHARMACEUTICALS, INC. (US) 2013-12-17 US disclosed
US-20110117084-A1 VANDETANIB DERIVATIVES CONCERT PHARMACEUTICALS, INC. (US) 2011-05-19 US disclosed
WO-2009094210-A1 VANDETANIB DERIVATIVES CONCERT PHARMACEUTICALS INC. (US) 2009-07-30 WO disclosed
EP-0812827-A1 Piperidine derivative as intermediates for the preparation of paroxetine and process for their preparation SUMIKA FINE CHEMICALS Co., Ltd. (JP) 1997-12-17 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 (4 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-20110117084-A1 VANDETANIB DERIVATIVES KDR, VHL, FLT4 KMT2A 1953/4885MEN1 1498/4885SMN1; SMN2 4223/4885
US-20170197949-A1 8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 KMT2A 2401/4885MEN1 3826/4885SMN1; SMN2 816/4885
US-20200399255-A1 8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 KMT2A 2441/4885MEN1 3729/4885SMN1; SMN2 752/4885
US-20180273516-A1 8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES OPRK1, OPRD1, OPRL1 KMT2A 2441/4885MEN1 3729/4885SMN1; SMN2 752/4885

“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.