SCHEMBL2920940

SCHEMBL2920940

CN(C)S(=O)(=O)c1cc(Br)c(F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTO1 P78417 3/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 5/20 0.37
LMNA P02545 2/20 0.34
KCNJ6 P48051 3/20 0.33
KCNJ5 P48544 3/20 0.33
KCNJ3 P48549 3/20 0.33
TSHR P16473 2/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTT P42858 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
GLA P06280 1/20 0.33
PDE2A O00408 1/20 0.33
PDE5A O76074 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
NFKB1 P19838 1/20 0.33
APEX1 P27695 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
SCHEMBL2663819 0.84 ALDH1A1 (0.41) GSTO1MAPTALDH1A1KCNJ6KCNJ5
SCHEMBL21633472 0.78 CCR2 (0.37) CA1CA2CA12CA7CA13
SCHEMBL1346797 0.77 CA2 (0.48) ALDH1A1APEX1CA1CA2CA12
SCHEMBL1684379 0.76 NMT1 (0.46) GSTO1MAPTALDH1A1LMNATSHR
SCHEMBL31429893 0.76 TSHR (0.41) GSTO1MAPTALDH1A1LMNATSHR
SCHEMBL23358172 0.74 CA2 (0.34) LMNATSHRKMT2ATDP1ALOX5AP
SCHEMBL644251 0.74 DPP4 (0.44) GSTO1MAPTALDH1A1KCNJ6KCNJ5
SCHEMBL1349380 0.74 CA1 (0.35) CA1CA2CA12CA7CA13
SCHEMBL18352241 0.73 SCN1A (0.35) GLA
SCHEMBL30876277 0.73 ZAP70 (0.38) ALDH1A1LMNAALOX5APFEN1CA1

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-RE41315-E1 Modulators of dopamine neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB (DE) 2010-05-04 US disclosed
EP-1419773-B1 4-Phenylpiperidine derivatives as modulators of dopamine neurotransmission NEUROSEARCH SWEDEN AB (SE) 2008-06-04 EP disclosed
US-6924374-B2 Central nervous system disorders; psychological disorders A. CARLSSON RESEARCH AB (SE) 2005-08-02 US disclosed
EP-1419773-A2 4-Phenylpiperidine derivatives as modulators of dopamine neurotransmission A. Carlsson Research AB (SE) 2004-05-19 EP disclosed
US-20030004169-A1 Modulators of dopamine neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2003-01-02 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 (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-20030004169-A1 Modulators of dopamine neurotransmission OPRD1, OPRK1, OPRM1 GSTO1 1134/4885MAPT 2736/4885ALDH1A1 2318/4885

“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.