SCHEMBL7086093

SCHEMBL7086093

C=Cc1ccccc1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
DRD2 P14416 7/20 0.39
DRD3 P35462 5/20 0.39
DRD1 P21728 3/20 0.39
DRD4 P21917 3/20 0.39
DRD5 P21918 3/20 0.39
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
HTR1D P28221 2/20 0.34
LMNA P02545 2/20 0.33
ELANE P08246 1/20 0.33
MAPK1 P28482 1/20 0.33
GAA P10253 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
SCHEMBL1201009 0.84 ALDH1A1 (0.62) ALDH1A1DRD2DRD3DRD1DRD4
SCHEMBL27672302 0.81 ALDH1A1 (0.42) ALDH1A1DRD2DRD3DRD1DRD4
SCHEMBL1712875 0.81 DRD2 (0.43) ALDH1A1DRD2DRD3DRD1DRD4
SCHEMBL6023587 0.78 HTT (0.56) LMNAMAPK1GAA
SCHEMBL20124005 0.77 CA2 (0.45) ALDH1A1KMT2AMEN1LMNAMAPK1
SCHEMBL7787737 0.77 SMN1; SMN2 (0.44) ALDH1A1KMT2AMEN1LMNAMAPK1
SCHEMBL731975 0.77 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1LMNAMAPK1
SCHEMBL29743115 0.77 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1LMNAMAPK1
SCHEMBL8813181 0.76 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1LMNAMAPK1
SCHEMBL7023211 0.76 DRD2 (0.42) ALDH1A1DRD2DRD3DRD1DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10565015-B2 Spiroketal-based C2-symmetric scaffold for asymmetric catalysis THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-02-18 US disclosed
US-20190084995-A1 Spiroketal-Based C2-Symmetric Scaffold For Asymmetric Catalysis THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2019-03-21 US disclosed
US-20030113805-A1 Intrinsically labelled solid support ZENECA LIMITED, A LONDON CORPORATION 2003-06-19 US disclosed
US-20010007740-A1 INTRINSICALLY LABELLED SOLID SUPPORT ZENECA LTD. 2001-07-12 US disclosed
EP-0843656-A1 INTRINSICALLY LABELLED SOLID SUPPORT ZENECA LIMITED (GB) 1998-05-27 EP disclosed
WO-1997003931-A1 INTRINSICALLY LABELLED SOLID SUPPORT ZENECA LIMITED (GB) 1997-02-06 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-10565015-B2 Spiroketal-based C2-symmetric scaffold for asymmetric catalysis PKD2, OPA1, PKD1 ALDH1A1 1985/4885DRD2 2232/4885DRD3 3272/4885
US-20190084995-A1 Spiroketal-Based C2-Symmetric Scaffold For Asymmetric Catalysis PKD2, OPA1, PKD1 ALDH1A1 1985/4885DRD2 2232/4885DRD3 3272/4885

“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.