SCHEMBL4180101

SCHEMBL4180101

COc1ccc(S(=O)(=O)N2CCNCC2)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.73
KMT2A Q03164 1/20 0.62
TSHR P16473 3/20 0.61
LMNA P02545 3/20 0.61
HSD17B10 Q99714 2/20 0.61
USP2 O75604 1/20 0.61
GLA P06280 1/20 0.61
MAPK1 P28482 1/20 0.61
HTT P42858 2/20 0.60
PKM P14618 2/20 0.60
POLB P06746 1/20 0.60
MAPT P10636 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C19 P33261 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
MCOLN3 Q8TDD5 2/20 0.57
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 1/20 0.56
HTR6 P50406 1/20 0.56

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
SCHEMBL4184459 0.94 GPBAR1 (0.74) GPBAR1KMT2ATSHRLMNAHSD17B10
SCHEMBL3830421 0.89 GPBAR1 (0.90) GPBAR1TSHRLMNAHSD17B10USP2
SCHEMBL4184681 0.89 GPBAR1 (0.90) GPBAR1TSHRLMNAHSD17B10USP2
SCHEMBL9976104 0.88 LMNA (0.58) GPBAR1KMT2ATSHRLMNAHTT
SCHEMBL27334375 0.87 KMT2A (0.58) GPBAR1KMT2ATSHRLMNAHTT
SCHEMBL7209087 0.86 GPBAR1 (0.91) GPBAR1KMT2ATSHRLMNAHSD17B10
SCHEMBL6367892 0.86 GPBAR1 (0.97) GPBAR1TSHRLMNAHSD17B10USP2
Sb-756050 SCHEMBL4174350 0.84 GPBAR1 (1.00) GPBAR1TSHRLMNAHSD17B10USP2
SCHEMBL7205052 0.84 GPBAR1 (0.88) GPBAR1TSHRLMNAHSD17B10USP2
SCHEMBL8937378 0.83 KMT2A (0.56) GPBAR1KMT2ATSHRPKMMAPT

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
US-8546397-B2 DNA methylation inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-10-01 US disclosed
US-8546397-B2 DNA methylation inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-10-01 US disclosed
WO-2012087889-A2 DNA METHYLATION INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-06-28 WO disclosed
US-20120157465-A1 DNA METHYLATION INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-06-21 US disclosed
US-20120157465-A1 DNA METHYLATION INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-06-21 US disclosed
US-20090069302-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-03-12 US disclosed
EP-1976498-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2008-10-08 EP disclosed
WO-2007127505-A2 USE OF SULFONAMIDE DERIVATIVES IN THE TREATMENT OF DISORDERS OF THE METABOLISM AND THE NERVOUS SYSTEM SMITHKLINE BEECHAM CORPORATION (US) 2007-11-08 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 (2 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-20120157465-A1 DNA METHYLATION INHIBITORS MECP2, DNMT1, DNMT3B GPBAR1 3135/4885KMT2A 17/4885TSHR 4082/4885
US-20090069302-A1 CHEMICAL COMPOUNDS TBXA2R, PDE4D, PDE4A GPBAR1 81/4885KMT2A 3729/4885TSHR 576/4885

“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.