SCHEMBL1019652

SCHEMBL1019652

CC(=O)Oc1cc(S(=O)(=O)C(F)(F)F)ccc1OC[C@H]1CO1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
VDR P11473 1/20 0.41
TSHR P16473 1/20 0.40
GLA P06280 1/20 0.37
BRD4 O60885 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH3A1 P30838 1/20 0.36
SCN9A Q15858 1/20 0.36
EPAS1 Q99814 5/20 0.36
IDH2 P48735 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL1073285 0.85 PKM (0.42) PKMALDH1A1LMNAGAAVDR
SCHEMBL1073288 0.85 PKM (0.42) PKMALDH1A1LMNAGAAVDR
SCHEMBL6980381 0.80 ALDH1A1 (0.48) ALDH1A1GAAVDRTSHRGLA
SCHEMBL20612384 0.77 CFD (0.43) ALDH1A1GAAVDRTSHRGLA
SCHEMBL1042328 0.76 PTPN1 (0.49) PKMALDH1A1LMNAGAAVDR
SCHEMBL24328600 0.75 FDPS (0.43) ALDH1A1VDRTSHRGLA
SCHEMBL24328789 0.75 FDPS (0.43) ALDH1A1VDRTSHRGLA
SCHEMBL24329411 0.75 FDPS (0.43) ALDH1A1VDRTSHRGLA
SCHEMBL13416124 0.75 ALDH1A1 (0.61) PKMALDH1A1TSHRGLAKMT2A
SCHEMBL7713504 0.73 ALDH1A1 (0.51) PKMALDH1A1LMNAGAAVDR

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
EP-2271634-B1 MODULATORS OF DOPAMINE NEUROTRANSMISSION INTEGRATIVE RES LAB SWEDEN AB (SE) 2014-02-12 EP disclosed
US-8524766-B2 Modulators of dopamine neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2013-09-03 US disclosed
US-20110105461-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2011-05-05 US disclosed
EP-2271634-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, Filial af NeuroSearch Sweden AB, Sverige (DK) 2011-01-12 EP disclosed
WO-2009133107-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2009-11-05 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 (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-20110105461-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION DBH, SLC18A2, SLC6A3 PKM 1161/4885ALDH1A1 1056/4885LMNA 4504/4885

“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.