Sugi Predict

Sugi Predict / Compounds / SCHEMBL354057

SCHEMBL354057

SCHEMBL354057

COC(=O)c1ccc2c(c1)CCC(OS(=O)(=O)C(F)(F)F)=C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 2/20 0.39
▸ PDK2 Q15119 2/20 0.37
▸ CA12 O43570 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ SRD5A1 P18405 1/20 0.36
▸ SRD5A2 P31213 1/20 0.36
▸ TRPA1 O75762 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 5/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ PTPRC P08575 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ HPGD P15428 2/20 0.35
▸ GAA P10253 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
SCHEMBL354113 0.91 PDK2 (0.39) NOTUMPDK2CA12CA9TRPA1
SCHEMBL227608 0.81 CYP11B1 (0.46) KDM4EGAADRD2DRD3
SCHEMBL25107063 0.81 CA1 (0.44) CA12CA9SRD5A1SRD5A2TRPA1
SCHEMBL354124 0.81 NOTUM (0.40) NOTUMPDK2CA12CA9SRD5A1
SCHEMBL355590 0.78 ALDH1A1 (0.39) PDK2CA12CA9SRD5A1SRD5A2
SCHEMBL19230505 0.77 SRD5A1 (0.33) CA9SRD5A1SRD5A2CA1CA2
SCHEMBL6360846 0.75 KDM4E (0.37) CA1CA2CA7KDM4EALDH1A1
SCHEMBL15319208 0.74 AKR1C3 (0.42) CA9CA1CA2DRD2DRD3
SCHEMBL22569053 0.74 CYP11B1 (0.41) STSHSD17B10ALDH1A1GAADRD2
SCHEMBL225981 0.74 CYP11B1 (0.41) HSD17B10ALDH1A1GAADRD2DRD3

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 NOTUM 3808/4885PDK2 1447/4885CA12 1553/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 NOTUM 3191/4885PDK2 493/4885CA12 2004/4885

“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.