SCHEMBL355590

SCHEMBL355590

O=C(O)c1ccc2c(c1)C=C(OS(=O)(=O)C(F)(F)F)CC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
DRD2 P14416 4/20 0.36
DRD3 P35462 4/20 0.36
SRD5A2 P31213 4/20 0.35
SRD5A1 P18405 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
BLM P54132 1/20 0.35
GRM1 Q13255 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
PDK2 Q15119 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 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
SCHEMBL354113 0.88 PDK2 (0.39) ALDH1A1DRD2DRD3KDM4EPOLB
SCHEMBL10283628 0.79 PTGS2 (0.36) DRD2DRD3
SCHEMBL225035 0.79 CYP11B2 (0.41) DRD2DRD3
SCHEMBL354057 0.78 NOTUM (0.39) ALDH1A1DRD2DRD3SRD5A2SRD5A1
SCHEMBL30152331 0.77 GPR84 (0.35) DRD2DRD3KDM1A
SCHEMBL225622 0.77 GPR84 (0.35) DRD2DRD3KDM1A
SCHEMBL30942635 0.77 PDE4A (0.37) ALDH1A1MAPTMEN1MAPK1CYP2C19
SCHEMBL5828284 0.77 PDE4A (0.37) ALDH1A1MAPTMEN1MAPK1CYP2C19
SCHEMBL6360846 0.73 KDM4E (0.37) ALDH1A1KDM4EMAPTCA1CA2
SCHEMBL19230505 0.73 SRD5A1 (0.33) DRD2DRD3SRD5A2SRD5A1TDP1

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 3 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
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

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 ALDH1A1 676/4885DRD2 2063/4885DRD3 2383/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 ALDH1A1 202/4885DRD2 1964/4885DRD3 2036/4885

“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.