SCHEMBL9610075

SCHEMBL9610075

CC(C)(C)OC(=O)Nc1ccc(C2CC2)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.42
BRD4 O60885 1/20 0.39
BRD2 P25440 1/20 0.39
BRD3 Q15059 1/20 0.39
CREBBP Q92793 1/20 0.39
TP53 P04637 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
JAK3 P52333 1/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
HTT P42858 1/20 0.37
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
RORC P51449 1/20 0.37
ATR Q13535 1/20 0.37
SMURF2 Q9HAU4 1/20 0.37

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
SCHEMBL26629356 0.85 USP30 (0.46) TP53RORC
SCHEMBL30118378 0.84 AAK1 (0.51) DGAT1AAK1
SCHEMBL5868762 0.84 AAK1 (0.51) DGAT1AAK1
SCHEMBL4568352 0.82 LMNA (0.47) DGAT1HTT
SCHEMBL6628806 0.80 PDK1 (0.56) RAB9ANPC1HSP90AA1HSP90AB1HTT
SCHEMBL6056066 0.80 RAB9A (0.54) RAB9ANPC1HTTPDK1PDK2
SCHEMBL878961 0.80 CA1 (0.51) JAK3RAB9ANPC1HTTRORC
SCHEMBL5868887 0.80 NPC1 (0.42) RAB9ANPC1HTT
SCHEMBL3783697 0.79 CA12 (0.48) RAB9ANPC1HTT
SCHEMBL22535137 0.79 MEN1 (0.51) AAK1RAB9AHSP90AA1HSP90AB1PDK1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372807-B2 Methods of modulating uric acid levels ARDEA BIOSCIENCES, INC. (US) 2013-02-12 US disclosed
US-8198458-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 US disclosed
US-8198458-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 US disclosed
US-20120135929-A1 Methods Of Modulating Uric Acid Levels ARDEA BIOSCIENCES INC. (US) 2012-05-31 US disclosed
WO-2010135536-A2 METHODS OF MODULATING URIC ACID LEVELS ARDEA BIOSCIENCES, INC. (US) 2010-11-25 WO disclosed
US-20090143370-A1 Non-nucleoside Reverse Transcriptase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-04 US disclosed
US-7517998-B2 Benzothiazole or benzothiazine derivative of dipyrido(2,3;b:2',3'-e) diazepin-6-one; viricide against human t-cell leukemia/lymphoma virus BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2009-04-14 US disclosed
US-7517998-B2 Benzothiazole or benzothiazine derivative of dipyrido(2,3;b:2',3'-e) diazepin-6-one; viricide against human t-cell leukemia/lymphoma virus BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2009-04-14 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-20120135929-A1 Methods Of Modulating Uric Acid Levels XDH, PON1, OAT DGAT1 1133/4885BRD4 3682/4885BRD2 4342/4885
US-20090143370-A1 Non-nucleoside Reverse Transcriptase Inhibitors RTF1, POLR1A, POLR1E DGAT1 1550/4885BRD4 1519/4885BRD2 3047/4885

“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.