SCHEMBL3674345

SCHEMBL3674345

O=C(ON1C(=O)CCC1=O)c1ccc(-c2ccccc2)o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
HPGD P15428 1/20 0.50
PDE4B Q07343 7/20 0.47
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SLC9A1 P19634 1/20 0.44
ERCC5 P28715 1/20 0.44
FEN1 P39748 1/20 0.44
PDE4D Q08499 2/20 0.44
PDE7A Q13946 1/20 0.44
PDE3A Q14432 1/20 0.44
PDE7B Q9NP56 1/20 0.44
S1PR4 O95977 1/20 0.41
NPSR1 Q6W5P4 1/20 0.39
PARL Q9H300 1/20 0.39
PTPN1 P18031 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
SCHEMBL26742181 0.83 KMT2A (0.38) ALDH1A1HPGDMAPTRAB9ASMN1; SMN2
SCHEMBL979643 0.77 PRSS1 (0.40) ALDH1A1MAPTSMN1; SMN2NPSR1
SCHEMBL3681633 0.76 KMT2A (0.45) ALDH1A1HPGDNPC1MAPTMAPK1
SCHEMBL982584 0.76 KDM4E (0.61) ALDH1A1MAPTMAPK1NPSR1GAA
SCHEMBL3685840 0.75 ALOX5 (0.43) ALDH1A1NPC1POLBRAB9ASMN1; SMN2
SCHEMBL3059132 0.75 ALDH1A1 (0.62) ALDH1A1HPGDPDE4BPOLBRAB9A
SCHEMBL3543909 0.75 CHRNA4 (0.43) ALDH1A1MAPT
SCHEMBL4872950 0.74 SMN1; SMN2 (0.54) HPGDNPC1POLBMAPTMAPK1
SCHEMBL3689149 0.74 LMNA (0.41) ALDH1A1POLBMAPTMAPK1RAB9A
SCHEMBL19309377 0.73 KMT2A (0.53) ALDH1A1NPC1POLBMAPTMAPK1

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 3 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 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 ALDH1A1 450/4885HPGD 523/4885PDE4B 401/4885
US-20090163527-A1 Spiropiperidines for use as tryptase inhibitors TPSAB1, TPSB2, TPSD1 ALDH1A1 450/4885HPGD 523/4885PDE4B 401/4885

“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.