SCHEMBL12895702

SCHEMBL12895702

COc1ccc(-c2ccc(S(=O)(=O)C(C)(C)C)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.55
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 2/20 0.51
MMP2 P08253 6/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
MMP9 P14780 6/20 0.49
MMP13 P45452 6/20 0.49
MMP1 P03956 4/20 0.49
MMP8 P22894 5/20 0.48
MMP3 P08254 2/20 0.48
MMP7 P09237 2/20 0.48
USP2 O75604 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PTGS1 P23219 2/20 0.47
PTGS2 P35354 2/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL12725103 0.94 PKM (0.61) PKMALDH1A1MMP2CA1CA2
SCHEMBL14780559 0.82 PKM (0.48) PKMALDH1A1KDM4EMMP2MMP9
SCHEMBL12923159 0.82 PKM (0.48) PKMALDH1A1KDM4EMMP2MMP9
SCHEMBL19365941 0.79 ALDH1A1 (0.70) ALDH1A1CA1CA2CA9MMP9
SCHEMBL14227521 0.78 PKM (0.57) PKMALDH1A1MMP2CA1CA2
SCHEMBL754571 0.78 PKM (0.61) PKMALDH1A1MMP2CA1CA2
SCHEMBL7503391 0.78 PTGS2 (0.71) PKMALDH1A1KDM4EPTGS1PTGS2
SCHEMBL2702059 0.78 ALDH1A1 (0.57) PKMALDH1A1MMP2CA1CA2
SCHEMBL12868408 0.78 ALDH1A1 (0.57) PKMALDH1A1MMP2CA1CA2
SCHEMBL752793 0.78 PKM (0.61) PKMALDH1A1MMP2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9321731-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-04-26 US disclosed
US-20160031820-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-04 US disclosed
US-9096518-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-08-04 US disclosed
US-20110039827-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-17 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-20110039827-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 PKM 680/4885ALDH1A1 1505/4885KDM4E 592/4885
US-20160031820-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 PKM 680/4885ALDH1A1 1505/4885KDM4E 592/4885

“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.