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SCHEMBL354113

SCHEMBL354113

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 2/20 0.39
▸ CA12 O43570 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ NOTUM Q6P988 2/20 0.39
▸ TRPA1 O75762 2/20 0.38
▸ PTPRC P08575 1/20 0.38
▸ DRD2 P14416 3/20 0.36
▸ DRD3 P35462 3/20 0.36
▸ MAPK14 Q16539 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ XDH P47989 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ STS P08842 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35

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
SCHEMBL354057 0.91 NOTUM (0.39) PDK2CA12CA9NOTUMTRPA1
SCHEMBL355590 0.88 ALDH1A1 (0.39) PDK2CA12CA9DRD2DRD3
SCHEMBL225035 0.80 CYP11B2 (0.41) DRD2DRD3
SCHEMBL12389789 0.75 MAPK14 (0.45) PDK2NOTUMDRD2DRD3MAPK14
SCHEMBL12390210 0.75 PDK2 (0.44) PDK2NOTUMDRD2DRD3MAPK14
SCHEMBL10283628 0.75 PTGS2 (0.36) DRD2DRD3
SCHEMBL6360846 0.75 KDM4E (0.37) CA1CA2CA7KDM4EALDH1A1
SCHEMBL17493570 0.74 FFAR1 (0.36) DRD2DRD3
SCHEMBL17493572 0.74 FFAR1 (0.36) DRD2DRD3
SCHEMBL225622 0.74 GPR84 (0.35) DRD2DRD3

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 PDK2 1447/4885CA12 1553/4885CA9 1274/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 PDK2 493/4885CA12 2004/4885CA9 1666/4885

“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.