SCHEMBL2110177

SCHEMBL2110177

COC(=O)c1ccc(Sc2ccccc2)o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
LMNA P02545 3/20 0.54
KDM4E B2RXH2 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
HTT P42858 3/20 0.51
KMT2A Q03164 5/20 0.50
MEN1 O00255 3/20 0.50
CYP1A2 P05177 2/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 2/20 0.48
MAPT P10636 2/20 0.48
MAPK1 P28482 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TP53 P04637 1/20 0.46
MCL1 Q07820 1/20 0.46
CYP2C19 P33261 1/20 0.45

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
SCHEMBL25826853 0.86 HTT (0.61) ALDH1A1LMNAKDM4EL3MBTL1HTT
SCHEMBL22588735 0.86 HTT (0.50) ALDH1A1LMNAKDM4EL3MBTL1HTT
SCHEMBL2110236 0.81 ALDH1A1 (0.46) ALDH1A1KDM4EKMT2AMEN1POLB
SCHEMBL24462027 0.78 HTT (0.59) ALDH1A1LMNAKDM4EL3MBTL1HTT
SCHEMBL11397879 0.77 MAPT (0.69) ALDH1A1LMNAL3MBTL1HTTKMT2A
SCHEMBL6427088 0.75 RAB9A (0.65) ALDH1A1LMNAKDM4EL3MBTL1KMT2A
SCHEMBL32680947 0.75 HTT (0.42) ALDH1A1LMNAKDM4EL3MBTL1HTT
SCHEMBL69791 0.74 HTT (0.69) ALDH1A1LMNAKDM4EL3MBTL1HTT
SCHEMBL24462106 0.73 HTT (0.59) ALDH1A1LMNAKDM4EL3MBTL1HTT
SCHEMBL11401902 0.73 KMT2A (0.50) ALDH1A1KDM4EL3MBTL1HTTKMT2A

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 13 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-8536189-B2 Spiropiperidines for use as tryptase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-09-17 US disclosed
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-20120165327-A1 SPIROPIPERIDINES FOR USE AS TRYPTASE INHIBITORS COSTANZO MICHAEL J (US) 2012-06-28 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-8158792-B2 Spiropiperidines for use as tryptase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2012-04-17 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
US-20090163527-A1 Spiropiperidines for use as tryptase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2009-06-25 US 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 ALDH1A1 450/4885LMNA 1913/4885KDM4E 2890/4885
US-20090163527-A1 Spiropiperidines for use as tryptase inhibitors TPSAB1, TPSB2, TPSD1 ALDH1A1 450/4885LMNA 1913/4885KDM4E 2890/4885

“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.