SCHEMBL2110139

SCHEMBL2110139

O=[C]c1sc(SCc2ccccc2)c2c1CCCC2=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.58
L3MBTL1 Q9Y468 3/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
TSHR P16473 1/20 0.41
LRRK2 Q5S007 2/20 0.41
HSD11B1 P28845 1/20 0.39
ELANE P08246 1/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RXFP1 Q9HBX9 2/20 0.36
BRD4 O60885 2/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
TP53 P04637 1/20 0.34
PPARG P37231 1/20 0.34
NCOA2 Q15596 1/20 0.34
NCOA1 Q15788 1/20 0.34

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
SCHEMBL2110142 0.80 ADORA2A (0.58) ADORA2AL3MBTL1ALDH1A1KDM4ENPSR1
SCHEMBL2109041 0.74 GABRA1 (0.39) ADORA2AL3MBTL1ALDH1A1KDM4ENPSR1
SCHEMBL5667457 0.74 ADORA2A (1.00) ADORA2AALDH1A1KDM4ENPSR1RXFP1
SCHEMBL2109986 0.71 MAPT (0.39) L3MBTL1ALDH1A1NPSR1ELANESMN1; SMN2
SCHEMBL31318409 0.65 L3MBTL1 (0.48) ADORA2AL3MBTL1ALDH1A1KDM4ENPSR1
SCHEMBL19545057 0.65 LRRK2 (0.64) ADORA2ALRRK2BRD4
SCHEMBL8318430 0.65 L3MBTL1 (0.46) L3MBTL1ALDH1A1ELANEPOLBTDP1
SCHEMBL19520760 0.63 LRRK2 (0.60) ADORA2ANPSR1LRRK2BRD4
SCHEMBL2434846 0.61 ALDH1A1 (0.56) ADORA2AALDH1A1KDM4ENPSR1LRRK2
SCHEMBL23111604 0.61 LRRK2 (0.60) ADORA2AALDH1A1KDM4ENPSR1LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165327-A1 SPIROPIPERIDINES FOR USE AS TRYPTASE INHIBITORS COSTANZO MICHAEL J (US) 2012-06-28 US claimed
US-8158792-B2 Spiropiperidines for use as tryptase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2012-04-17 US claimed
EP-2224803-A1 SPIROPIPERIDINES FOR USE AS TRYPTASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2010-09-08 EP claimed
US-20090163527-A1 Spiropiperidines for use as tryptase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2009-06-25 US claimed
WO-2009067202-A1 SPIROPIPERIDINES FOR USE AS TRYPTASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2009-05-28 WO claimed
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
EP-2224803-A1 SPIROPIPERIDINES FOR USE AS TRYPTASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2010-09-08 EP disclosed
US-20090163527-A1 Spiropiperidines for use as tryptase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2009-06-25 US disclosed
WO-2009067202-A1 SPIROPIPERIDINES FOR USE AS TRYPTASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2009-05-28 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 (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 ADORA2A 1002/4885L3MBTL1 4857/4885ALDH1A1 450/4885
US-20090163527-A1 Spiropiperidines for use as tryptase inhibitors TPSAB1, TPSB2, TPSD1 ADORA2A 1002/4885L3MBTL1 4857/4885ALDH1A1 450/4885

“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.