SCHEMBL1103889

SCHEMBL1103889

COc1ccc(C2=CCN(S(C)(=O)=O)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 6/20 0.59
CDK9 P50750 6/20 0.59
HSD11B1 P28845 2/20 0.55
JAK2 O60674 1/20 0.52
JAK3 P52333 1/20 0.52
TDO2 P48775 1/20 0.47
LMNA P02545 1/20 0.47
THRB P10828 1/20 0.47
ALDH1A1 P00352 3/20 0.47
PKM P14618 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HTR1D P28221 1/20 0.45
HTR1B P28222 1/20 0.45
NPC1 O15118 1/20 0.45
PKLR P30613 1/20 0.45
RAB9A P51151 1/20 0.45
MMP2 P08253 1/20 0.44
MMP3 P08254 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL11956930 0.84 LMNA (0.62) CCNT1CDK9HSD11B1TDO2LMNA
SCHEMBL979744 0.81 THRB (0.49) CCNT1CDK9HSD11B1TDO2LMNA
SCHEMBL15615751 0.81 CCNT1 (0.49) CCNT1CDK9TDO2LMNATHRB
SCHEMBL979793 0.81 QDPR (0.58) CCNT1CDK9TDO2LMNATHRB
SCHEMBL14320646 0.81 TDO2 (0.49) CCNT1CDK9HSD11B1TDO2LMNA
SCHEMBL978744 0.80 CCNT1 (0.63) CCNT1CDK9LMNATHRB
SCHEMBL16051393 0.77 CCNT1 (1.00) CCNT1CDK9
SCHEMBL5546728 0.76 QDPR (0.64) ALDH1A1KMT2ASIGMAR1
SCHEMBL980281 0.75 TDP1 (0.48) CCNT1CDK9TDO2
SCHEMBL978848 0.75 CCNT1 (0.42) CCNT1CDK9JAK2JAK3TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153635-B2 Compounds and compositions as modulators of GPR119 activity IRM LLC (BM) 2012-04-10 US disclosed
US-20090270409-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-10-29 US disclosed
WO-2009038974-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-03-26 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 (1 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-20090270409-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GPR65, GPR39 CCNT1 4728/4885CDK9 1598/4885HSD11B1 1559/4885

“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.