Sugi Predict

Sugi Predict / Compounds / SCHEMBL2611481

SCHEMBL2611481

SCHEMBL2611481

CC(C)(COc1ccccc1)Cn1cnc2ccc(C(=O)NO)cc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 8/20 0.47
▸ HDAC6 Q9UBN7 2/20 0.47
▸ HDAC3 O15379 1/20 0.47
▸ HDAC4 P56524 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC7 Q8WUI4 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC10 Q969S8 1/20 0.47
▸ HDAC11 Q96DB2 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47
▸ HDAC9 Q9UKV0 1/20 0.47
▸ HDAC5 Q9UQL6 1/20 0.47
▸ MAPK1 P28482 1/20 0.44
▸ HTT P42858 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MEN1 O00255 1/20 0.43

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
SCHEMBL2117616 0.87 MMP13 (0.48) MMP13HDAC6HDAC3HDAC4HDAC1
SCHEMBL2611500 0.84 HDAC6 (0.45) MMP13HDAC6HDAC3HDAC4HDAC1
SCHEMBL2611334 0.83 HTT (0.63) MMP13HDAC6HDAC3HDAC4HDAC1
SCHEMBL2611478 0.78 HDAC6 (0.44) MMP13HDAC6HDAC3HDAC4HDAC1
SCHEMBL2611488 0.76 MMP13 (0.43) MMP13HDAC6HDAC3HDAC4HDAC1
SCHEMBL17540005 0.76 SMPD1 (0.57) MMP13HDAC6HDAC3HDAC4HDAC1
SCHEMBL2611234 0.75 MMP13 (0.71) MMP13HDAC6HDAC3HDAC4HDAC1
SCHEMBL2118029 0.75 HDAC1 (0.52) MMP13HDAC6HDAC3HDAC4HDAC1
SCHEMBL2611468 0.75 MMP13 (0.44) MMP13HDAC6HDAC3HDAC4HDAC1
SCHEMBL2611374 0.74 HDAC1 (0.51) MMP13HDAC6HDAC3HDAC4HDAC1

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 7 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-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 224/4885HDAC6 1/4885HDAC3 5/4885
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 MMP13 224/4885HDAC6 1/4885HDAC3 5/4885

“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.