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SCHEMBL346602

SCHEMBL346602

COC(=O)C1CCc2ccc(-c3cccc(NC(=O)C(C)(C)C)c3)cc2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.45
▸ MAP4K4 O95819 1/20 0.43
▸ FAAH O00519 6/20 0.42
▸ GRIA2 P42262 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ CDC25A P30304 1/20 0.39
▸ CDC25B P30305 1/20 0.39
▸ CDC25C P30307 1/20 0.39
▸ DUSP3 P51452 1/20 0.39
▸ DGAT1 O75907 1/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ KDR P35968 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
SCHEMBL10197933 0.93 KDM4E (0.44) KDM4EMAP4K4FAAHGRIA2NPSR1
SCHEMBL346887 0.88 CYP17A1 (0.48) FAAHGRIA2CDC25ACDC25BCDC25C
SCHEMBL346777 0.87 KDM4E (0.45) KDM4EMAP4K4GRIA2NPSR1MAPT
SCHEMBL10260957 0.81 FAAH (0.57) FAAH
SCHEMBL345380 0.81 FAAH (0.47) FAAHCYP3A4CYP2C9
SCHEMBL460022 0.80 FAAH (0.46) FAAH
SCHEMBL346328 0.80 ADRB3 (0.46) FAAH
Hydrochloric Acid SCHEMBL345449 0.79 FAAH (0.45) FAAH
SCHEMBL10197734 0.77 CYP17A1 (0.47) FAAHGRIA2NPC1RAB9A
SCHEMBL12473133 0.77 FAAH (0.63) FAAHDGAT1

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-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
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 2282/4885FAAH 1791/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 KDM4E 572/4885MAP4K4 3625/4885FAAH 651/4885

“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.