Sugi Predict

Sugi Predict / Compounds / SCHEMBL346777

SCHEMBL346777

SCHEMBL346777

CC(C)(C)C(=O)Nc1cccc(-c2ccc3c(c2)CC(C(=O)NO)CC3)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.45
▸ MAP4K4 O95819 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.41
▸ GRIA2 P42262 1/20 0.41
▸ GHSR Q92847 1/20 0.40
▸ PARP1 P09874 1/20 0.39
▸ PARP15 Q460N3 1/20 0.39
▸ PARP10 Q53GL7 1/20 0.39
▸ DGAT1 O75907 1/20 0.39
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38

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
SCHEMBL10197667 0.88 GRIA2 (0.53) MAPTGRIA2GHSRPARP1PARP15
SCHEMBL346350 0.88 MAPK1 (0.48) KDM4EMAP4K4KMT2ANPSR1GRIA2
SCHEMBL10197734 0.88 CYP17A1 (0.47) GRIA2GHSRHDAC1HDAC7HDAC8
SCHEMBL346602 0.87 KDM4E (0.45) KDM4EMAP4K4MAPTMEN1KMT2A
SCHEMBL346515 0.87 DGAT1 (0.43) NPSR1GRIA2GHSRPARP1PARP15
SCHEMBL10197933 0.86 KDM4E (0.44) KDM4EMAP4K4MAPTMEN1KMT2A
SCHEMBL438630 0.84 GRIA2 (0.53) MAPTGRIA2GHSRPARP1PARP15
SCHEMBL346564 0.81 KMT2A (0.47) MEN1KMT2AGHSR
SCHEMBL459845 0.81 FAAH (0.49) GHSRDGAT1HDAC1HDAC7HDAC8
SCHEMBL10260016 0.80 FAAH (0.51) GHSRDGAT1HDAC1HDAC7HDAC8

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
WO-2016120432-A1 COMPOUNDS AND METHODS FOR ANTICOAGULATION THERAPY FUNDACIÓN PARA LA INVESTIGACIÓN MÉDICA APLICADA (ES) 2016-08-04 — — WO claimed
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 — — US disclosed
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 — — US disclosed
WO-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 — — WO disclosed
WO-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 — — WO disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 — — US disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, 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-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 KDM4E 729/4885MAP4K4 2282/4885MAPT 2161/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 KDM4E 572/4885MAP4K4 3625/4885MAPT 1377/4885

“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.