SCHEMBL2033908

SCHEMBL2033908

CS(=O)(=O)OCc1ccc(Cl)c(Br)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.37
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
CA1 P00915 1/20 0.35
ALDH1A1 P00352 3/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
SCN9A Q15858 1/20 0.33
MAPT P10636 2/20 0.33
GPR84 Q9NQS5 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
XBP1 P17861 1/20 0.33
HTT P42858 1/20 0.33
CNR2 P34972 1/20 0.33
ABL1 P00519 1/20 0.33
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL2523918 0.87 MAOB (0.41) IDO1CA2CA9CA1ALDH1A1
SCHEMBL20868077 0.84 IDO1 (0.53) IDO1ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL20668700 0.81 MRGPRX4 (0.40) IDO1CA2CA9CA1ALDH1A1
SCHEMBL5958226 0.80 PROKR1 (0.39) IDO1CA2CA9CA1SCN9A
SCHEMBL605119 0.80 CYP1A2 (0.39) IDO1CA2CA9CA1ALDH1A1
SCHEMBL3186496 0.78 CA2 (0.40) CA2CA9CA1ALDH1A1MAPT
SCHEMBL19409625 0.78 RAB9A (0.40) IDO1CA2CA9CA1ALDH1A1
SCHEMBL27847326 0.78 CA2 (0.34) CA2CA9CA1
SCHEMBL263675 0.77 IDO1 (0.42) IDO1CA2ALDH1A1SLC6A4GPR84
SCHEMBL1368760 0.77 PTPRB (0.37) IDO1CA2CA9CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102770425-A Indolyl-piperidinylbenzylamines as beta-tryptase inhibitors SANOFI SA 2012-11-07 CN disclosed
EP-2516419-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-10-31 EP disclosed
US-20120245161-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-09-27 US disclosed
US-20120245161-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-09-27 US disclosed
US-20120245161-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-09-27 US disclosed
WO-2011079102-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2011-06-30 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-20120245161-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS TPSAB1, TPSB2, TPSD1 IDO1 9/4885CA2 731/4885CA9 1552/4885

“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.