SCHEMBL18607649

SCHEMBL18607649

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 2/20 0.39
▸ NR1H3 Q13133 2/20 0.39
▸ ATM Q13315 1/20 0.39
▸ CHIT1 Q13231 4/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ VEGFA P15692 1/20 0.38
▸ EGLN1 Q9GZT9 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ CHIA Q9BZP6 3/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ LTB4R Q15722 1/20 0.37
▸ LTB4R2 Q9NPC1 1/20 0.37
▸ NR1D1 P20393 1/20 0.36
▸ ALOX5AP P20292 2/20 0.36
▸ CHI3L1 P36222 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
SCHEMBL18577422 1.00 NR1H2 (0.39) NR1H2NR1H3ATMCHIT1NPSR1
SCHEMBL18607758 1.00 NR1H2 (0.39) NR1H2NR1H3ATMCHIT1NPSR1
SCHEMBL18589427 1.00 NR1H2 (0.39) NR1H2NR1H3ATMCHIT1NPSR1
SCHEMBL22903559 0.91 CHIT1 (0.39) NR1H2NR1H3ATMCHIT1NPSR1
SCHEMBL26707702 0.91 CHIT1 (0.45) NR1H2NR1H3ATMCHIT1NPSR1
SCHEMBL26438868 0.91 CHIT1 (0.39) NR1H2NR1H3ATMCHIT1NPSR1
SCHEMBL18607756 0.89 P2RX3 (0.41) NR1H2NR1H3ATMCHIT1NPSR1
SCHEMBL18609870 0.89 P2RX3 (0.41) NR1H2NR1H3ATMCHIT1NPSR1
SCHEMBL18607754 0.89 P2RX3 (0.41) NR1H2NR1H3ATMCHIT1NPSR1
SCHEMBL18589472 0.89 P2RX3 (0.41) NR1H2NR1H3ATMCHIT1NPSR1

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 NR1H2 1224/4885NR1H3 1039/4885ATM 707/4885
US-20170066743-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS CHIA, CHIT1, AADAC NR1H2 1224/4885NR1H3 1039/4885ATM 707/4885

“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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