SCHEMBL3868648

SCHEMBL3868648

COC(=O)C1=C(NC(C)c2ccccc2)CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.44
ATM Q13315 1/20 0.43
TSHR P16473 2/20 0.41
ALOX15 P16050 1/20 0.41
ESR2 Q92731 1/20 0.41
MAPK1 P28482 2/20 0.40
GLS O94925 1/20 0.40
GPR119 Q8TDV5 2/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PDK4 Q16654 1/20 0.38
NAMPT P43490 1/20 0.38
PKM P14618 1/20 0.38
PTGER4 P35408 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
SCHEMBL6355642 1.00 NR1H2 (0.44) NR1H2ATMTSHRALOX15ESR2
SCHEMBL1219800 0.90 ADORA1 (0.43) ATMTSHRALOX15ESR2GLS
SCHEMBL21047249 0.90 ADORA1 (0.43) ATMTSHRALOX15ESR2GLS
SCHEMBL1219803 0.90 ADORA1 (0.43) ATMTSHRALOX15ESR2GLS
SCHEMBL21104807 0.88 ATM (0.42) NR1H2ATMTSHRALOX15ESR2
SCHEMBL16789937 0.82 ATM (0.45) NR1H2ATMTSHRALOX15ESR2
SCHEMBL929117 0.82 ADORA1 (0.43) ATMTSHRALOX15ESR2GPR119
SCHEMBL929119 0.82 ADORA1 (0.43) ATMTSHRALOX15ESR2GPR119
SCHEMBL654580 0.82 ADORA1 (0.43) ATMTSHRALOX15ESR2GPR119
SCHEMBL25635587 0.81 HDAC1 (0.41) NR1H2ATMTSHRALOX15MAPK1

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-7595327-B2 Exo-N-Hydroxy-3-[methyl({4-[(2-methylquinolin-4-yl) methoxy]phenyl}sulfonyl)amino]bicyclo[2.2.1]heptane-2-carboxamide; rheumatoid arthritis (RA), juvenile RA, psoriatic arthritis, ankylosing spondylitis, psoriasis, osteoarthritis, tumor metastasis, sepsis, AIDS, ulcerative colitis, multiple sclerosis WYETH (US) 2009-09-29 US disclosed
US-20060211730-A1 Beta-sulfonamide hydroxamic acid inhibitors of tace/matrix metalloproteinase WYETH (US) 2006-09-21 US disclosed
US-6949546-B2 N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-09-27 US disclosed
US-20040058961-A1 N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity KO SOO S (US) 2004-03-25 US disclosed
US-6627629-B2 Useful for the treatment or prevention of asthma and other allergic diseases. BRISTOL-MYERS SQUIBB PHARMA 2003-09-30 US disclosed
CN-1440402-A N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity BRISTOL MYERS SQUIBB PHARMA CO (US) 2003-09-03 CN disclosed
US-20030032654-A1 N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-02-13 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 (3 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-20060211730-A1 Beta-sulfonamide hydroxamic acid inhibitors of tace/matrix metalloproteinase SI, MMP12, TNF NR1H2 399/4885ATM 1232/4885TSHR 768/4885
US-20040058961-A1 N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity CCR3, CCR1, ACKR3 NR1H2 149/4885ATM 4768/4885TSHR 2053/4885
US-20030032654-A1 N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity CCR3, CCR1, ACKR3 NR1H2 149/4885ATM 4768/4885TSHR 2053/4885

“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.