SCHEMBL21685779

SCHEMBL21685779

CCC1C(C(=O)O)C(C(F)F)CN1Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
BRD4 O60885 4/20 0.38
MAPT P10636 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR5 Q9H228 1/20 0.38
GRM6 O15303 1/20 0.37
ACE P12821 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36

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
SCHEMBL17631636 0.81 MAPT (0.51) PDK1PDK2PDK3PDK4BRD4
SCHEMBL19281632 0.81 MAPT (0.51) PDK1PDK2PDK3PDK4BRD4
SCHEMBL20659898 0.81 S1PR5 (0.44) PDK1PDK2PDK3PDK4BRD4
SCHEMBL5839370 0.79 DRD2 (0.40) PDK1PDK2PDK3PDK4BRD4
SCHEMBL3273540 0.77 BRD4 (0.38) PDK1PDK2PDK3PDK4BRD4
SCHEMBL3277038 0.77 BRD4 (0.38) PDK1PDK2PDK3PDK4BRD4
SCHEMBL3548163 0.74 GBA1 (0.57) MAPTSIGMAR1
SCHEMBL17389297 0.70 MAPT (0.51) PDK1PDK2PDK3PDK4BRD4
SCHEMBL16978163 0.70 OGA (0.60) BRD4MAPTDRD2DRD3
SCHEMBL14801629 0.70 CHRM2 (0.39) PDK1PDK2PDK3PDK4BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12162888-B2 Carboxamides as ubiquitin-specific protease inhibitors VALO HEALTH, INC. (US) 2024-12-10 US disclosed
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 (3 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 PDK1 1571/4885PDK2 2417/4885PDK3 2352/4885
US-20210323975-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS USP28, USP25, USP24 PDK1 1571/4885PDK2 2417/4885PDK3 2352/4885
US-12162888-B2 Carboxamides as ubiquitin-specific protease inhibitors USP28, USP25, USP24 PDK1 1571/4885PDK2 2417/4885PDK3 2352/4885

“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.