SCHEMBL356130

SCHEMBL356130

CC(C)(C)[Si](C)(C)OC1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.55
DRD3 P35462 7/20 0.55
HTR1D P28221 3/20 0.55
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
ACHE P22303 2/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
HSD11B1 P28845 1/20 0.36
CHRM1 P11229 1/20 0.35
DRD4 P21917 1/20 0.35
KCNH2 Q12809 1/20 0.35
HTR2C P28335 1/20 0.34
HTR7 P34969 1/20 0.34
HTR6 P50406 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
SCHEMBL10247310 0.77 DRD2 (0.61) DRD2DRD3HTR1DCA1CA2
SCHEMBL10247469 0.77 DRD2 (0.61) DRD2DRD3HTR1DCA1CA2
SCHEMBL355640 0.75 DRD2 (0.58) DRD2DRD3HTR1DCA1CA2
SCHEMBL9673238 0.75 DRD2 (0.60) DRD2DRD3HTR1DACHE
SCHEMBL3806985 0.74 PLAU (0.41) CA1CA2MTNR1AMTNR1BHTR2C
SCHEMBL28875302 0.74 CA1 (0.36) DRD2DRD3CA1CA2ACHE
SCHEMBL1095464 0.73 GPR119 (0.30)
SCHEMBL354259 0.73 MTNR1A (0.39) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL9134353 0.73 DRD2 (0.62) DRD2DRD3HTR1DCA1CA2
SCHEMBL353332 0.73 DRD2 (0.62) DRD2DRD3HTR1DCA1CA2

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-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
WO-2012012322-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
WO-2012012322-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, INC. (US) 2012-01-19 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.