SCHEMBL10288024

SCHEMBL10288024

NCc1ccc2c(c1)C1(CCN(C(=O)c3ccc(-c4ccccc4)o3)CC1)CN2CCS(=O)(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 12/20 0.55
PRSS2 P07478 12/20 0.55
PRSS3 P35030 12/20 0.55
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
RECQL P46063 1/20 0.37
ESR2 Q92731 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PDE4B Q07343 1/20 0.35

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
SCHEMBL10254080 0.87 PRSS1 (0.68) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL10279062 0.86 PRSS1 (0.67) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL3676410 0.84 PRSS1 (0.64) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL10278789 0.82 PRSS1 (0.66) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL10279065 0.82 PRSS1 (0.61) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL3669135 0.81 PRSS1 (0.60) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL3652041 0.80 PRSS1 (0.65) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL3661046 0.80 PRSS1 (0.74) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL3662216 0.80 PRSS1 (0.65) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL3655376 0.80 PRSS1 (0.65) PRSS1PRSS2PRSS3MAOAMAOB

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 1 patent. 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

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-20120165327-A1 SPIROPIPERIDINES FOR USE AS TRYPTASE INHIBITORS TPSAB1, TPSB2, TPSD1 PRSS1 7/4885PRSS2 33/4885PRSS3 9/4885

“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.