SCHEMBL3438844

SCHEMBL3438844

[C-]#[N+]c1ccc(NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c(Br)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.55
PTPN1 P18031 1/20 0.55
PTPN6 P29350 1/20 0.55
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
ABL1 P00519 1/20 0.48
RIN1 Q13671 1/20 0.48
GPR119 Q8TDV5 1/20 0.47
KMT2A Q03164 1/20 0.46
STS P08842 9/20 0.44
PARP1 P09874 1/20 0.44
PARP2 Q9UGN5 1/20 0.44
EPHX2 P34913 2/20 0.43

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
SCHEMBL5579013 0.85 PTPN2 (0.59) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL3171133 0.84 PTPN2 (0.58) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL860245 0.83 PTPN2 (0.57) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL3171666 0.82 STS (0.56) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL3186189 0.82 PTPN2 (0.56) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL2108811 0.81 PTPN2 (0.55) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL3181308 0.81 PTPN2 (0.62) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL841859 0.80 PTPN2 (0.54) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL26664390 0.79 PTPN2 (0.60) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL3177867 0.77 STS (0.60) PTPN2PTPN1PTPN6NPC1RAB9A

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
US-8536189-B2 Spiropiperidines for use as tryptase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-09-17 US disclosed
US-20120165327-A1 SPIROPIPERIDINES FOR USE AS TRYPTASE INHIBITORS COSTANZO MICHAEL J (US) 2012-06-28 US disclosed
US-8158792-B2 Spiropiperidines for use as tryptase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2012-04-17 US disclosed
US-20090163527-A1 Spiropiperidines for use as tryptase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 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 (2 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-20120165327-A1 SPIROPIPERIDINES FOR USE AS TRYPTASE INHIBITORS TPSAB1, TPSB2, TPSD1 PTPN2 1772/4885PTPN1 1535/4885PTPN6 1665/4885
US-20090163527-A1 Spiropiperidines for use as tryptase inhibitors TPSAB1, TPSB2, TPSD1 PTPN2 1772/4885PTPN1 1535/4885PTPN6 1665/4885

“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.