SCHEMBL2036074

SCHEMBL2036074

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.47
IL1B P01584 2/20 0.45
CNR1 P21554 4/20 0.44
TPSAB1 Q15661 1/20 0.43
CNR2 P34972 5/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.41
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
ATM Q13315 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 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
SCHEMBL2033740 0.89 P2RX7 (0.48) P2RX7IL1BCNR1CNR2ALDH1A1
SCHEMBL1983582 0.84 CNR2 (0.49) P2RX7CNR1TPSAB1CNR2ALDH1A1
SCHEMBL1985481 0.83 ALDH1A1 (0.46) CNR1TPSAB1CNR2ALDH1A1MAPT
SCHEMBL2038658 0.82 ALDH1A1 (0.54) CNR1TPSAB1CNR2ALDH1A1MAPT
SCHEMBL2042835 0.81 CNR1 (0.46) CNR1CNR2ALDH1A1MAPTKDM4E
SCHEMBL2037949 0.81 P2RX7 (0.62) P2RX7IL1BCNR1CNR2
SCHEMBL2035808 0.81 CNR1 (0.44) P2RX7CNR1TPSAB1CNR2ALDH1A1
SCHEMBL23809280 0.79 CNR1 (0.45) P2RX7CNR1CNR2ALDH1A1MAPT
SCHEMBL2038751 0.79 ALDH1A1 (0.46) CNR1CNR2ALDH1A1MAPTATM
SCHEMBL2040429 0.78 POLB (0.44) CNR1CNR2ALDH1A1MAPTMEN1

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 4 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

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 250/4885IL1B 2128/4885CNR1 160/4885

“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.