SCHEMBL21685773

SCHEMBL21685773

NC1COc2cc(N3CCC(C(=O)O)CC3)ccc2C1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.42
NOTUM Q6P988 11/20 0.42
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
AKR1C3 P42330 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
SCHEMBL20722680 1.00 PDK2 (0.42) PDK2NOTUMPDE3BPDE3AAKR1C3
SCHEMBL21686001 0.84 RORC (0.39)
SCHEMBL20722850 0.84 RORC (0.39)
SCHEMBL28562762 0.83 LGMN (0.60) PDK2
SCHEMBL30059990 0.83 LGMN (0.60) PDK2
SCHEMBL20731988 0.83 LGMN (0.60) PDK2
SCHEMBL20722677 0.79 GRK2 (0.31)
SCHEMBL23938403 0.79 KDM4E (0.38)
SCHEMBL20722671 0.77 HRH3 (0.31)
SCHEMBL20722732 0.76 LGMN (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11524966-B1 Carboxamides as ubiquitin-specific protease inhibitors VALO HEALTH, INC. (US) 2022-12-13 US disclosed
US-20210323975-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS VALO EARLY DISCOVERY, INC. 2021-10-21 US disclosed
EP-3833661-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS Valo Early Discovery, Inc. (US) 2021-06-16 EP disclosed
WO-2020033707-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS FORMA THERAPEUTICS, INC. (US) 2020-02-13 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-11524966-B1 Carboxamides as ubiquitin-specific protease inhibitors USP28, USP25, USP24 PDK2 2417/4885NOTUM 1080/4885PDE3B 4150/4885
US-20210323975-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS USP28, USP25, USP24 PDK2 2417/4885NOTUM 1080/4885PDE3B 4150/4885

“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.