SCHEMBL20204634

SCHEMBL20204634

CCC(C)c1ncc(CC(C)C)[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.46
DAO P14920 1/20 0.38
PARP1 P09874 1/20 0.36
DGAT1 O75907 2/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.32
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
GPR84 Q9NQS5 1/20 0.30

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
SCHEMBL29504623 0.85 CAPN1 (0.60) CAPN1DAOPARP1DGAT1TSHR
SCHEMBL21707883 0.78 CAPN1 (0.77) CAPN1DAOPARP1TSHR
SCHEMBL30266499 0.77 CAPN1 (0.41) CAPN1DAODGAT1MAPK1
SCHEMBL16431613 0.76 DAO (0.42) CAPN1DAOPARP1DGAT1TSHR
SCHEMBL12775584 0.70 TSHR (0.35) DAODGAT1TSHR
SCHEMBL13754481 0.67 HRH4 (0.55) DAODGAT1TSHRPDE3BPDE3A
SCHEMBL12598586 0.66 AOC3 (0.47) DAOPARP1DGAT1
SCHEMBL20341002 0.66 DAO (0.33) CAPN1DAODGAT1TSHRPDE3B
SCHEMBL14012158 0.66 DGAT1 (0.38) DAODGAT1TSHRGPR84
SCHEMBL17285583 0.66 PPARG (0.40) CAPN1TSHR

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-11124498-B2 Compositions and methods for modulating protease activity THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-09-21 US disclosed
US-20200048227-A1 COMPOSITIONS AND METHODS FOR MODULATING PROTEASE ACTIVITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-02-13 US disclosed
WO-2018097999-A1 COMPOSITIONS AND METHODS FOR MODULATING PROTEASE ACTIVITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-05-31 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-11124498-B2 Compositions and methods for modulating protease activity RNASE1, ADAM8, CTRL CAPN1 81/4885DAO 2868/4885PARP1 437/4885
US-20200048227-A1 COMPOSITIONS AND METHODS FOR MODULATING PROTEASE ACTIVITY RNASE1, ADAM8, CTRL CAPN1 81/4885DAO 2868/4885PARP1 437/4885

“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.