SCHEMBL2033728

SCHEMBL2033728

COCCn1cc(C(=O)N2CCC(c3cc(CNC(=O)C(F)(F)F)ccc3F)CC2)c2c(NC(C)=O)cccc21

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 6/20 0.48
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
GLA P06280 3/20 0.40
GAA P10253 3/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
P2RX7 Q99572 5/20 0.39
IL1B P01584 2/20 0.39
HRH2 P25021 2/20 0.37
CNR2 P34972 1/20 0.36
RBP4 P02753 1/20 0.36
PARP1 P09874 1/20 0.36
PARP2 Q9UGN5 1/20 0.36

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
SCHEMBL2038895 0.93 TPSAB1 (0.49) TPSAB1KDM4EALDH1A1GLAGAA
SCHEMBL2052502 0.93 TPSAB1 (0.46) TPSAB1KDM4EALDH1A1GLAGAA
SCHEMBL2036157 0.92 TPSAB1 (0.51) TPSAB1KDM4EALDH1A1GLAGAA
SCHEMBL2053220 0.91 TPSAB1 (0.45) TPSAB1KDM4EALDH1A1GLAGAA
SCHEMBL2034874 0.91 TPSAB1 (0.45) TPSAB1KDM4EALDH1A1GLAGAA
SCHEMBL2054420 0.91 TPSAB1 (0.46) TPSAB1KDM4EALDH1A1GLAGAA
SCHEMBL12643101 0.91 TPSAB1 (0.45) TPSAB1KDM4EALDH1A1GLAGAA
SCHEMBL2033913 0.91 TPSAB1 (0.51) TPSAB1KDM4EALDH1A1GLAGAA
SCHEMBL2053351 0.90 TPSAB1 (0.44) TPSAB1KDM4EALDH1A1GLAGAA
SCHEMBL2050655 0.90 TPSAB1 (0.44) TPSAB1KDM4EALDH1A1GLAGAA

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
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
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 TPSAB1 1/4885KDM4E 801/4885ALDH1A1 752/4885

“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.