Sugi Predict

Sugi Predict / Compounds / SCHEMBL2120683

SCHEMBL2120683

SCHEMBL2120683

O=C(NO)c1ccc2ncn(Cc3cccc(OC(F)(F)F)c3)c(=O)c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 8/20 0.59
▸ HSD17B13 Q7Z5P4 3/20 0.53
▸ HDAC1 Q13547 2/20 0.52
▸ HDAC6 Q9UBN7 2/20 0.52
▸ HDAC3 O15379 1/20 0.52
▸ HDAC4 P56524 1/20 0.52
▸ HDAC7 Q8WUI4 1/20 0.52
▸ HDAC2 Q92769 1/20 0.52
▸ HDAC10 Q969S8 1/20 0.52
▸ HDAC11 Q96DB2 1/20 0.52
▸ HDAC8 Q9BY41 1/20 0.52
▸ HDAC9 Q9UKV0 1/20 0.52
▸ HDAC5 Q9UQL6 1/20 0.52
▸ GRK2 P25098 4/20 0.51
▸ DDR1 Q08345 1/20 0.47
▸ AURKA O14965 1/20 0.47
▸ PRKCB P05771 1/20 0.47
▸ AKT1 P31749 1/20 0.47
▸ GRK5 P34947 1/20 0.47
▸ GRK6 P43250 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
SCHEMBL2619237 0.95 HDAC6 (0.55) MMP13HSD17B13HDAC1HDAC6HDAC3
SCHEMBL2611234 0.87 MMP13 (0.71) MMP13HDAC1HDAC6HDAC3HDAC4
SCHEMBL10268002 0.86 HDAC6 (0.51) MMP13HSD17B13HDAC1HDAC6HDAC3
SCHEMBL17540005 0.86 SMPD1 (0.57) MMP13HDAC1HDAC6HDAC3HDAC4
SCHEMBL2116368 0.85 MMP13 (0.59) MMP13HSD17B13HDAC1HDAC6HDAC3
SCHEMBL15849075 0.84 HDAC1 (0.55) MMP13HDAC1HDAC6HDAC3HDAC4
SCHEMBL2611277 0.84 MMP13 (0.59) MMP13HSD17B13HDAC1HDAC6HDAC3
SCHEMBL4550175 0.83 HDAC6 (0.46) HSD17B13HDAC1HDAC6HDAC3HDAC4
SCHEMBL4550062 0.82 MMP13 (0.65) MMP13HDAC1HDAC6HDAC3HDAC4
SCHEMBL10261226 0.82 MMP13 (0.54) MMP13HSD17B13HDAC1HDAC6HDAC3

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-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-11 — — US disclosed
US-8765773-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-01 — — US disclosed
US-8765773-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-01 — — US disclosed
WO-2012054332-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-26 — — WO disclosed
US-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-19 — — US disclosed
US-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-19 — — 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-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 MMP13 224/4885HSD17B13 901/4885HDAC1 2/4885
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 MMP13 224/4885HSD17B13 901/4885HDAC1 2/4885

“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.