SCHEMBL1104004

SCHEMBL1104004

COc1ccc2c(c1)cc1n2CCN(S(C)(=O)=O)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.53
HTR2C P28335 2/20 0.53
RYR2 Q92736 1/20 0.48
KDM4E B2RXH2 6/20 0.44
TSHR P16473 2/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 3/20 0.42
HPGD P15428 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
USP2 O75604 1/20 0.42
POLB P06746 2/20 0.41
CASP1 P29466 1/20 0.40
PKM P14618 2/20 0.40
NPC1 O15118 1/20 0.40
PKLR P30613 1/20 0.40
RAB9A P51151 1/20 0.40
GAA P10253 2/20 0.39

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
SCHEMBL1104003 0.81 ESR1 (0.49) MMP14ADAMTS5
SCHEMBL4049250 0.79 HTR2A (0.59) HTR2AHTR2CRYR2KDM4ETSHR
SCHEMBL4052097 0.76 HTR2A (0.53) HTR2AHTR2CKDM4EKMT2AMEN1
SCHEMBL3810984 0.76 F10 (0.40) L3MBTL1ALDH1A1MMP14ADAMTS5
SCHEMBL13743172 0.76 HTR2C (0.56) HTR2AHTR2CKDM4EKMT2AMEN1
SCHEMBL7888632 0.74 HTR2A (0.53) HTR2AHTR2CKDM4EKMT2AMEN1
SCHEMBL4048826 0.73 HTR2A (0.62) HTR2AHTR2CKDM4EKMT2AMEN1
SCHEMBL26839172 0.72 HTR2A (0.61) HTR2AHTR2CKDM4ETSHRKMT2A
SCHEMBL16197697 0.72 HTR2A (0.51) HTR2AHTR2CKDM4ETSHRL3MBTL1
SCHEMBL4055137 0.72 NR1H2 (0.56) HTR2AHTR2CKDM4EKMT2AMEN1

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-8258156-B2 Compounds and compositions as modulators of GPR119 activity IRM LLC (BM) 2012-09-04 US disclosed
US-20120196844-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2012-08-02 US disclosed
US-20120196844-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2012-08-02 US disclosed
US-8153635-B2 Compounds and compositions as modulators of GPR119 activity IRM LLC (BM) 2012-04-10 US disclosed
US-20110224185-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC, a Delaware Limited Company (BM) 2011-09-15 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 (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-20110224185-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GPR65, GPR39 HTR2A 277/4885HTR2C 599/4885RYR2 497/4885
US-20090270409-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GPR65, GPR39 HTR2A 277/4885HTR2C 599/4885RYR2 497/4885
US-20120196844-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GPR65, GPR39 HTR2A 277/4885HTR2C 599/4885RYR2 497/4885

“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.