SCHEMBL21686007

SCHEMBL21686007

O=C(N[C@H]1COc2c(Br)c(N3CCN(C(=O)O)CC3)cc(F)c2C1)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
ACHE P22303 2/20 0.42
GRM5 P41594 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41
DPP4 P27487 6/20 0.40
DPP7 Q9UHL4 6/20 0.40
KCNH2 Q12809 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.39
HSD11B1 P28845 1/20 0.38
ENPP2 Q13822 1/20 0.38
ATXN2 Q99700 1/20 0.38

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
SCHEMBL21686008 1.00 CA1 (0.42) CA1CA2ACHEGRM5ALDH1A1
SCHEMBL20722760 1.00 CA1 (0.42) CA1CA2ACHEGRM5ALDH1A1
SCHEMBL20722765 0.90 BACE1 (0.47) CA1CA2ACHEALDH1A1L3MBTL1
SCHEMBL28565689 0.90 BACE1 (0.47) CA1CA2ACHEALDH1A1L3MBTL1
SCHEMBL28568816 0.88 CA1 (0.41) CA1CA2ACHEGRM5ALDH1A1
SCHEMBL20722849 0.88 CA1 (0.41) CA1CA2ACHEGRM5ALDH1A1
SCHEMBL20722459 0.87 CA1 (0.47) CA1CA2ACHEGRM5ALDH1A1
SCHEMBL20722829 0.84 CA1 (0.42) CA1CA2ACHEGRM5ALDH1A1
SCHEMBL20722602 0.84 CA1 (0.42) CA1CA2ACHEGRM5ALDH1A1
SCHEMBL20722605 0.84 CA1 (0.42) CA1CA2ACHEGRM5ALDH1A1

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 CA1 1259/4885CA2 2429/4885ACHE 1811/4885
US-20210323975-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS USP28, USP25, USP24 CA1 1259/4885CA2 2429/4885ACHE 1811/4885

“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.