SCHEMBL1595060

SCHEMBL1595060

CC(C)(C)OC(=O)N[C@H](CO)Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.52
PPARG P37231 3/20 0.52
PPARA Q07869 2/20 0.52
CTSS P25774 6/20 0.45
CTSK P43235 5/20 0.45
APP P05067 3/20 0.43
EGFR P00533 1/20 0.43
EPHX2 P34913 2/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
ACE P12821 1/20 0.40

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
SCHEMBL1595057 1.00 ATM (0.52) ATMPPARGPPARACTSSCTSK
SCHEMBL1742641 0.92 ATM (0.52) ATMPPARGPPARACTSSCTSK
SCHEMBL2549240 0.92 ATM (0.52) ATMPPARGPPARACTSSCTSK
SCHEMBL4659427 0.90 ATM (0.50) ATMPPARGPPARACTSSCTSK
SCHEMBL14430204 0.90 ATM (0.50) ATMPPARGPPARACTSSCTSK
SCHEMBL7356988 0.89 ATM (0.54) ATMCTSSCTSKAPPEPHX2
SCHEMBL5757257 0.88 ATM (0.51) ATMPPARGPPARACTSSCTSK
SCHEMBL1519752 0.87 FFAR2 (0.54) ATMPPARGPPARACTSSCTSK
SCHEMBL16384160 0.87 PPARA (0.50) ATMPPARGPPARACTSSCTSK
SCHEMBL29163526 0.87 FFAR2 (0.54) ATMPPARGPPARACTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11638707-B2 Substituted amino triazoles useful as chitinase inhibitors MOLECURE S.A. (PL) 2023-05-02 US disclosed
US-11638707-B2 Substituted amino triazoles useful as chitinase inhibitors MOLECURE S.A. (PL) 2023-05-02 US disclosed
EP-3999500-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS CHITINASE INHIBITORS OncoArendi Therapeutics S.A. (PL) 2022-05-25 EP disclosed
US-20210015822-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS CHITINASE INHIBITORS GALAPAGOS NV (BE) 2021-01-21 US disclosed
WO-2021009209-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS CHITINASE INHIBITORS Oncoarendi Therapeutics S.A. (PL) 2021-01-21 WO disclosed
US-7919504-B2 Thiadiazole modulators of PKB AMGEN INC. (US) 2011-04-05 US disclosed
US-7919504-B2 Thiadiazole modulators of PKB AMGEN INC. (US) 2011-04-05 US disclosed
US-7919504-B2 Thiadiazole modulators of PKB AMGEN INC. (US) 2011-04-05 US disclosed
US-7897619-B2 Heterocyclic modulators of PKB AMGEN INC. (US) 2011-03-01 US disclosed
US-20090298836-A1 Thiadiazole modulators of PKB AMGEN INC. (US) 2009-12-03 US disclosed
US-20090298836-A1 Thiadiazole modulators of PKB AMGEN INC. (US) 2009-12-03 US disclosed
US-20090298836-A1 Thiadiazole modulators of PKB AMGEN INC. (US) 2009-12-03 US disclosed
US-20090275592-A1 Heterocyclic modulators of PKB AMGEN INC. (US) 2009-11-05 US disclosed
WO-2009011880-A2 HETEROCYCLIC MODULATORS OF PKB AMGEN INC. (US) 2009-01-22 WO disclosed
WO-2009011871-A2 THIADIAZOLE MODULATORS OF PKB AMGEN INC. (US) 2009-01-22 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 (4 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-20090298836-A1 Thiadiazole modulators of PKB PDK1, PDK2, MTOR ATM 317/4885PPARG 361/4885PPARA 781/4885
US-20090275592-A1 Heterocyclic modulators of PKB MTOR, PDK1, EIF4EBP1 ATM 758/4885PPARG 549/4885PPARA 1396/4885
US-20210015822-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS CHITINASE INHIBITORS CHIT1, CHIA, CHI3L1 ATM 543/4885PPARG 3658/4885PPARA 4350/4885
US-11638707-B2 Substituted amino triazoles useful as chitinase inhibitors CHIT1, CHIA, CHI3L1 ATM 543/4885PPARG 3658/4885PPARA 4350/4885

“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.