SCHEMBL3938437

SCHEMBL3938437

Cc1ccc(S(=O)(=O)OCCC2CCOCO2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC12A2 P55011 1/20 0.38
SLC12A5 Q9H2X9 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2D6 P10635 4/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 3/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
PKM P14618 1/20 0.35
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
STAT3 P40763 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL14975403 0.88 SLC12A2 (0.45) SLC12A2SLC12A5CA12CA1CA9
SCHEMBL14975401 0.88 SLC12A2 (0.45) SLC12A2SLC12A5CA12CA1CA9
SCHEMBL2929267 0.84 SLC12A2 (0.54) SLC12A2SLC12A5MEN1KMT2APOLB
SCHEMBL14239450 0.83 SLC12A2 (0.50) SLC12A2SLC12A5MEN1KMT2APOLB
SCHEMBL6221876 0.82 KMT2A (0.49) SLC12A2SLC12A5CA12CA1CA9
SCHEMBL4065055 0.82 KMT2A (0.49) SLC12A2SLC12A5CA12CA1CA9
SCHEMBL2098311 0.82 KMT2A (0.49) SLC12A2SLC12A5CA12CA1CA9
SCHEMBL766879 0.81 CA12 (0.41) CA12CA1CA9MEN1KMT2A
SCHEMBL25907366 0.78 ALDH1A1 (0.41) SLC12A2SLC12A5CA12CA1CA9
SCHEMBL16647258 0.77 CA12 (0.42) SLC12A2SLC12A5CA12CA1CA9

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-7538222-B2 N-substituted piperidine derivatives as serotonin receptor agents ACADIA PHARMACEUTICALS, INC. (US) 2009-05-26 US disclosed
US-7476682-B2 N-substituted piperidine derivatives as serotonin receptor agents ACADIA PHARMACEUTICALS, INC. (US) 2009-01-13 US disclosed
US-20080051429-A1 USE OF 4-AMINO-PIPERIDINES FOR TREATING SLEEP DISORDERS ACADIA PHARMACEUTICALS INC. 2008-02-28 US disclosed
US-7253186-B2 N-substituted piperidine derivatives as serotonin receptor agents ACADIA PHARMACEUTICALS, INC. 2007-08-07 US disclosed
US-20060205722-A1 N-substituted piperidine derivatives as serotonin receptor agents ACADIA PHARMACEUTICALS, INC. 2006-09-14 US disclosed
US-20060199818-A1 N-substituted piperidine derivatives as serotonin receptor agents ACADIA PHARMACEUTICALS INC. 2006-09-07 US disclosed
US-20060094758-A1 N-substituted piperidine derivatives as serotonin receptor agents ACADIA PHARMACEUTICALS, INC. 2006-05-04 US disclosed
US-20040106600-A1 N-substituted piperidine derivatives as serotonin receptor agents ACADIA PHARMACEUTICALS, INC. 2004-06-03 US 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 (5 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-20040106600-A1 N-substituted piperidine derivatives as serotonin receptor agents HTR1A, HTR5A, HTR1B SLC12A2 1081/4885SLC12A5 759/4885CA12 4581/4885
US-20060094758-A1 N-substituted piperidine derivatives as serotonin receptor agents HTR1A, HTR5A, HTR1B SLC12A2 1181/4885SLC12A5 840/4885CA12 4607/4885
US-20080051429-A1 USE OF 4-AMINO-PIPERIDINES FOR TREATING SLEEP DISORDERS HTR4, HTR3B, HTR2A SLC12A2 2090/4885SLC12A5 1959/4885CA12 4875/4885
US-20060205722-A1 N-substituted piperidine derivatives as serotonin receptor agents HTR1A, HTR5A, HTR1B SLC12A2 1181/4885SLC12A5 840/4885CA12 4607/4885
US-20060199818-A1 N-substituted piperidine derivatives as serotonin receptor agents HTR1A, HTR5A, HTR1B SLC12A2 1181/4885SLC12A5 840/4885CA12 4607/4885

“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.