SCHEMBL10247310

SCHEMBL10247310

C[C@@H]1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.61
DRD3 P35462 5/20 0.61
HTR1D P28221 3/20 0.61
ACHE P22303 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
DRD1 P21728 1/20 0.40
DRD4 P21917 1/20 0.40
DRD5 P21918 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
STS P08842 1/20 0.39

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
SCHEMBL10247469 1.00 DRD2 (0.61) DRD2DRD3HTR1DACHECA1
SCHEMBL9673238 0.83 DRD2 (0.60) DRD2DRD3HTR1DACHESTS
SCHEMBL355640 0.83 DRD2 (0.58) DRD2DRD3HTR1DACHECA1
SCHEMBL346170 0.79 DRD2 (0.57) DRD2DRD3HTR1DACHECA1
SCHEMBL356130 0.77 DRD2 (0.55) DRD2DRD3HTR1DACHECA1
SCHEMBL8983525 0.77 DRD2 (0.68) DRD2DRD3ACHECA1CA2
SCHEMBL4427945 0.77 STS (0.59) DRD2DRD3HTR1DCA1CA2
SCHEMBL5026108 0.77 STS (0.64) DRD2DRD3HTR1DCA1CA2
SCHEMBL25214790 0.76 DRD2 (0.46) DRD2DRD3HTR1DDRD1DRD4
SCHEMBL8173009 0.76 DRD2 (0.62) DRD2DRD3HTR1DACHECA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, INC. (US) 2012-01-19 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 (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-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 DRD2 2063/4885DRD3 2383/4885HTR1D 1967/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 DRD2 1964/4885DRD3 2036/4885HTR1D 1049/4885

“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.