SCHEMBL2568359

SCHEMBL2568359

CC(C)(C)OC(=O)NCc1cccc(-c2ccc(O)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.56
BRD4 O60885 2/20 0.51
CREBBP Q92793 1/20 0.51
CTSS P25774 2/20 0.50
CTSK P43235 2/20 0.50
CTSB P07858 1/20 0.50
GLS O94925 3/20 0.47
AOC3 Q16853 2/20 0.47
NQO2 P16083 1/20 0.46
KDM4A O75164 1/20 0.44
HPN P05981 1/20 0.44
PADI3 Q9ULW8 1/20 0.44
PADI4 Q9UM07 1/20 0.44
MMP3 P08254 1/20 0.43
LIPG Q9Y5X9 1/20 0.43
GRM2 Q14416 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
SCHEMBL30504293 0.93 HDAC1 (0.56) HDAC1BRD4CREBBPCTSSCTSK
SCHEMBL2572109 0.91 HDAC1 (0.52) HDAC1BRD4CREBBPCTSSCTSK
SCHEMBL18664426 0.91 HDAC1 (0.60) HDAC1BRD4CREBBPCTSSCTSK
SCHEMBL6242494 0.88 HDAC1 (0.55) HDAC1BRD4CREBBPCTSSCTSK
SCHEMBL18664572 0.88 GRM2 (0.54) HDAC1BRD4CREBBPCTSSCTSK
SCHEMBL5549803 0.87 HDAC1 (0.60) HDAC1BRD4CREBBPCTSSCTSK
SCHEMBL2570147 0.87 HDAC1 (0.62) HDAC1BRD4CREBBPCTSSCTSK
SCHEMBL16410240 0.86 BRD4 (0.53) HDAC1BRD4CREBBPCTSSCTSK
SCHEMBL6243284 0.86 HDAC1 (0.51) HDAC1BRD4CREBBPCTSSCTSK
SCHEMBL2567630 0.86 HDAC1 (0.57) HDAC1CTSSCTSKHPNGRM2

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1813623-B1 PURINENUCLEOSIDE DERIVATIVE MODIFIED IN 8-POSITION AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL (JP) 2011-11-09 EP disclosed
US-8013019-B2 Sulfonamide derivatives for the treatment of diseases PFIZER INC (US) 2011-09-06 US disclosed
US-8013019-B2 Sulfonamide derivatives for the treatment of diseases PFIZER INC (US) 2011-09-06 US disclosed
US-20100273758-A1 Sulfonamide Derivatives For The Treatment Of Diseases BROWN ALAN DANIEL 2010-10-28 US disclosed
US-20100273758-A1 Sulfonamide Derivatives For The Treatment Of Diseases BROWN ALAN DANIEL 2010-10-28 US disclosed
US-20100249054-A9 PURINE NUCLEOSIDE DERIVATIVE MODIFIED IN 8-POSITION AND MEDICAL USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-09-30 US disclosed
US-7795236-B2 Purine nucleoside derivative modified in 8-position and medical use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-09-14 US disclosed
US-7767715-B2 Sulfonamide derivatives for the treatment of diseases PFIZER INC (US) 2010-08-03 US disclosed
US-7767715-B2 Sulfonamide derivatives for the treatment of diseases PFIZER INC (US) 2010-08-03 US disclosed
US-20090197912-A1 Sulfonamide Derivatives for the Treatment of Diseases BROWN ALAN DANIEL 2009-08-06 US disclosed
US-7375100-B2 2-amino-pyridine derivatives useful for the treatment of diseases PFIZER INC (US) 2008-05-20 US disclosed
US-7375100-B2 2-amino-pyridine derivatives useful for the treatment of diseases PFIZER INC (US) 2008-05-20 US disclosed
EP-1633715-B1 2-(6-AMINO-PYRIDIN-3-YL)-2-HYDROXYETHYLAMINE DERIVATIVES AS BETA 2-ADRENOCEPTORS AGONISTS PFIZER LTD (GB) 2007-09-05 EP disclosed
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
EP-1813623-A1 PURINENUCLEOSIDE DERIVATIVE MODIFIED IN 8-POSITION AND MEDICINAL USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2007-08-01 EP disclosed
US-7244766-B2 Sulfonamide derivatives for the treatment of diseases PFIZER INC (US) 2007-07-17 US disclosed
US-7244766-B2 Sulfonamide derivatives for the treatment of diseases PFIZER INC (US) 2007-07-17 US disclosed
US-7241810-B2 Formamide derivatives for the treatment of diseases PFIZER INC (US) 2007-07-10 US disclosed
US-7241810-B2 Formamide derivatives for the treatment of diseases PFIZER INC (US) 2007-07-10 US disclosed
WO-2007010356-A2 PROCESS FOR THE PREPARATION OF SULFONAMIDE DERIVATIVES PFIZER LIMITED (GB) 2007-01-25 WO 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 (4 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-20100249054-A9 PURINE NUCLEOSIDE DERIVATIVE MODIFIED IN 8-POSITION AND MEDICAL USE THEREOF NUDT1, PNP, SLC28A2 HDAC1 2556/4885BRD4 3760/4885CREBBP 4802/4885
US-20100273758-A1 Sulfonamide Derivatives For The Treatment Of Diseases SULT2A1, STS, SULT1A1 HDAC1 866/4885BRD4 867/4885CREBBP 3152/4885
US-20090197912-A1 Sulfonamide Derivatives for the Treatment of Diseases SULT2A1, STS, SULT1A1 HDAC1 866/4885BRD4 867/4885CREBBP 3152/4885
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof NUDT1, SLC28A2, PNP HDAC1 2720/4885BRD4 3272/4885CREBBP 4807/4885

“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.