SCHEMBL21686014

SCHEMBL21686014

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

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.34
TSHR P16473 3/20 0.33
ALDH1A1 P00352 4/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALOX15 P16050 1/20 0.32
SLC6A5 Q9Y345 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPT P10636 1/20 0.31
GAA P10253 1/20 0.30
GRM5 P41594 1/20 0.30
POLB P06746 1/20 0.30
AADAT Q8N5Z0 2/20 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
SCHEMBL20722741 1.00 MAPK1 (0.34) MAPK1TSHRALDH1A1HPGDKDM4E
SCHEMBL21686015 1.00 MAPK1 (0.34) MAPK1TSHRALDH1A1HPGDKDM4E
SCHEMBL28568005 0.85 USP30 (0.39) ALDH1A1KDM4EMAPT
SCHEMBL28568004 0.85 USP30 (0.39) ALDH1A1KDM4EMAPT
SCHEMBL23923631 0.84 DPP4 (0.33) MAPK1ALDH1A1HPGDKDM4EALOX15
SCHEMBL23923634 0.84 DPP4 (0.33) MAPK1ALDH1A1HPGDKDM4EALOX15
SCHEMBL21685951 0.78 MAPK1 (0.37) MAPK1TSHRALDH1A1SMN1; SMN2HSD17B10
SCHEMBL21685953 0.78 MAPK1 (0.37) MAPK1TSHRALDH1A1SMN1; SMN2HSD17B10
SCHEMBL20722626 0.78 MAPK1 (0.37) MAPK1TSHRALDH1A1SMN1; SMN2HSD17B10
SCHEMBL21686008 0.75 CA1 (0.42) TSHRALDH1A1GAAGRM5

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 MAPK1 2061/4885TSHR 4209/4885ALDH1A1 2167/4885
US-20210323975-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS USP28, USP25, USP24 MAPK1 2061/4885TSHR 4209/4885ALDH1A1 2167/4885

“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.