SCHEMBL13800545

SCHEMBL13800545

Cc1c(CC(=O)O)c2ccccn2c1S(=O)(=O)Cc1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 4/20 0.46
HCRTR1 O43613 3/20 0.46
ABCB1 P08183 3/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
PTGDR2 Q9Y5Y4 4/20 0.40
HAT1 O14929 2/20 0.40
EP300 Q09472 2/20 0.40
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
NPSR1 Q6W5P4 3/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
MAPK1 P28482 2/20 0.38
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
EGFR P00533 1/20 0.38

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
SCHEMBL2770023 0.88 HCRTR1 (0.42) HCRTR2HCRTR1PTGS2HAT1EP300
SCHEMBL2770132 0.84 ABCB1 (0.44) ABCB1PTGS1PTGS2PTGDR2ALDH1A1
SCHEMBL2769434 0.79 PTGDR2 (0.41) HCRTR2HCRTR1ABCB1PTGS1PTGS2
SCHEMBL13800532 0.74 ABCB1 (0.45) ABCB1PTGS1PTGS2PTGDR2NPSR1
SCHEMBL2585096 0.73 HCRTR2 (0.74) HCRTR2HCRTR1PTGS2PTGDR2ALDH1A1
SCHEMBL2770435 0.71 ALDH1A1 (0.40) PTGDR2ALDH1A1MEN1KMT2ACYP2C9
SCHEMBL2594270 0.71 HCRTR2 (0.75) HCRTR2HCRTR1PTGDR2NPSR1ALDH1A1
SCHEMBL4635639 0.70 HCRTR1 (0.47) HCRTR2HCRTR1ABCB1PTGS1PTGS2
SCHEMBL2770449 0.67 ACLY (0.44) PTGS2NPSR1ALDH1A1LMNAMAPT
SCHEMBL10580913 0.65 TBXA2R (0.58) PTGDR2ALDH1A1LMNANPC1EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163534-A1 Indolizine Derivatives ARGENTA DISCOVERY LIMITED (GB) 2009-06-25 US disclosed
US-20090163534-A1 Indolizine Derivatives ARGENTA DISCOVERY LIMITED (GB) 2009-06-25 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 (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-20090163534-A1 Indolizine Derivatives HRH4, HRH2, NR1H2 HCRTR2 14/4885HCRTR1 40/4885ABCB1 1910/4885

“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.