SCHEMBL2033740

SCHEMBL2033740

COCCn1cc(C(=O)OC)c2cccc(C(F)(F)F)c21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.48
NR4A2 P43354 2/20 0.48
TSHR P16473 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
BRD4 O60885 2/20 0.47
LMNA P02545 3/20 0.47
MAPT P10636 2/20 0.47
GAA P10253 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GLA P06280 1/20 0.47
HPGD P15428 1/20 0.47
POLB P06746 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
IL1B P01584 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CNR2 P34972 3/20 0.44
CNR1 P21554 2/20 0.42
KMT2A Q03164 1/20 0.42
PRPS1 P60891 2/20 0.41

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
SCHEMBL2036074 0.89 P2RX7 (0.47) P2RX7MAPTGAAALDH1A1KDM4E
SCHEMBL2037523 0.79 LMNA (0.50) NR4A2TSHRL3MBTL1BRD4LMNA
SCHEMBL2038601 0.78 NR4A2 (0.47) NR4A2TSHRL3MBTL1BRD4LMNA
SCHEMBL2036426 0.78 LMNA (0.54) NR4A2TSHRL3MBTL1BRD4LMNA
SCHEMBL2036700 0.77 PRPS1 (0.53) P2RX7NR4A2TSHRL3MBTL1BRD4
SCHEMBL1986366 0.75 IDO1 (0.47) P2RX7LMNAMAPTKDM4EPOLB
SCHEMBL2052293 0.75 TPSAB1 (0.54) LMNAKDM4ECNR2CNR1
SCHEMBL1986391 0.73 IDO1 (0.48) LMNAKDM4ECNR2CNR1
SCHEMBL1985481 0.73 ALDH1A1 (0.46) MAPTALDH1A1CNR2CNR1KMT2A
SCHEMBL12643105 0.73 CNR2 (0.44) P2RX7LMNAMAPTPOLBNPSR1

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 5 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
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 P2RX7 250/4885NR4A2 3953/4885TSHR 1421/4885

“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.