SCHEMBL18607648

SCHEMBL18607648

CC(C)(C)OC(=O)N1CC(CO)OC[C@@H]1Cc1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHIT1 Q13231 5/20 0.43
▸ CHIA Q9BZP6 5/20 0.43
▸ KCNH2 Q12809 4/20 0.43
▸ CHI3L1 P36222 4/20 0.43
▸ NR1D1 P20393 2/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ NPSR1 Q6W5P4 3/20 0.38
▸ USP2 O75604 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ NR1H2 P55055 2/20 0.38
▸ NR1H3 Q13133 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ ATM Q13315 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ VEGFA P15692 1/20 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
SCHEMBL18609560 1.00 CHIT1 (0.43) CHIT1CHIAKCNH2CHI3L1NR1D1
SCHEMBL18589412 1.00 CHIT1 (0.43) CHIT1CHIAKCNH2CHI3L1NR1D1
SCHEMBL22903717 0.90 KCNH2 (0.37) CHIT1CHIAKCNH2CHI3L1NR1D1
SCHEMBL26707509 0.90 KCNH2 (0.37) CHIT1CHIAKCNH2CHI3L1NR1D1
SCHEMBL26438655 0.90 NR1H2 (0.37) CHIT1CHIAKCNH2CHI3L1NR1D1
SCHEMBL26707816 0.90 CYP3A4 (0.40) MEN1KMT2ANPSR1NR1H2NR1H3
SCHEMBL26605756 0.89 ATM (0.40) CHIT1CHIAKCNH2CHI3L1NR1D1
SCHEMBL26438981 0.89 KCNH2 (0.45) CHIT1CHIAKCNH2CHI3L1NR1D1
SCHEMBL22903606 0.89 NR1H2 (0.38) MEN1KMT2ANR1H2NR1H3
SCHEMBL22903811 0.89 NR1H2 (0.38) MEN1KMT2ANR1H2NR1H3

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-20190345137-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS GALAPAGOS NV (BE) 2019-11-14 — — US disclosed
EP-3344616-B1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS ONCOARENDI THERAPEUTICS SA (PL) 2019-01-09 — — EP disclosed
US-9944624-B2 Substituted amino triazoles useful as human chitinase inhibitors Oncoarendi Therapeutics S.A. (PL) 2018-04-17 — — US disclosed
US-20170066743-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS GALAPAGOS NV (BE) 2017-03-09 — — US 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-20190345137-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS CHIA, CHIT1, AADAC CHIT1 2/4885CHIA 1/4885KCNH2 3882/4885
US-20170066743-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS CHIA, CHIT1, AADAC CHIT1 2/4885CHIA 1/4885KCNH2 3882/4885

“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.

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