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SCHEMBL354658

SCHEMBL354658

COC(=O)c1ccc2c(c1)CC(NC(=O)C1(C)CCN(C(=O)OC(C)(C)C)CC1)CC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ MTNR1A P48039 1/20 0.41
▸ MTNR1B P49286 1/20 0.41
▸ GPR119 Q8TDV5 6/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ JAK2 O60674 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ NR1H2 P55055 1/20 0.38
▸ USP30 Q70CQ3 2/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ UCHL1 P09936 1/20 0.38
▸ PDK1 Q15118 1/20 0.38
▸ PDK2 Q15119 1/20 0.38
▸ PDK3 Q15120 1/20 0.38
▸ PDK4 Q16654 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
SCHEMBL354456 0.90 HDAC8 (0.46) HDAC1HDAC6
SCHEMBL434563 0.89 MTNR1A (0.43) NPC1RAB9AMTNR1AMTNR1BALDH1A1
SCHEMBL355074 0.88 MTNR1A (0.38) NPC1RAB9AMTNR1AMTNR1BALDH1A1
SCHEMBL355075 0.83 MTNR1A (0.39) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL10253259 0.79 MTNR1A (0.51) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL354268 0.79 MTNR1A (0.51) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL5663801 0.77 ESR2 (0.57) NPC1RAB9APKMGPR119ALDH1A1
SCHEMBL9949180 0.77 ESR2 (0.54) NPC1RAB9APKMNR1H2HDAC1
Hydrochloric Acid SCHEMBL9949251 0.76 ESR2 (0.53) NPC1RAB9APKMJAK2JAK1
SCHEMBL17848478 0.76 EPHX1 (0.55) NPC1RAB9AALDH1A1CA1CA2

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-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 — — US disclosed
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 — — US disclosed
WO-2012012322-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-26 — — WO disclosed
WO-2012012322-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-26 — — WO disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, INC. (US) 2012-01-19 — — US disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, 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-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 NPC1 2866/4885RAB9A 1801/4885PKM 1703/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 NPC1 2958/4885RAB9A 1003/4885PKM 1080/4885

“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.