SCHEMBL18577294

SCHEMBL18577294

CC(C)(O)[C@H]1CN(C(=O)O)[C@@H](Cc2ccc(Cl)cc2)CO1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CHIT1 Q13231 11/20 0.51
▸ CHIA Q9BZP6 10/20 0.51
▸ CHI3L1 P36222 7/20 0.51
▸ KCNH2 Q12809 9/20 0.39
▸ HCRTR1 O43613 3/20 0.39
▸ HCRTR2 O43614 3/20 0.39
▸ CYP3A4 P08684 3/20 0.39
▸ LTB4R Q15722 1/20 0.37
▸ LTB4R2 Q9NPC1 1/20 0.37
▸ CHI3L2 Q15782 2/20 0.37

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
SCHEMBL28692439 0.89 KCNH2 (0.48) CHIT1CHIACHI3L1KCNH2HCRTR1
SCHEMBL18589339 0.86 CHIT1 (0.48) CHIT1CHIACHI3L1KCNH2HCRTR1
SCHEMBL20747186 0.86 CHIT1 (0.48) CHIT1CHIACHI3L1KCNH2HCRTR1
SCHEMBL18607759 0.86 CHIT1 (0.48) CHIT1CHIACHI3L1KCNH2HCRTR1
SCHEMBL18607977 0.86 CHIT1 (0.48) CHIT1CHIACHI3L1KCNH2HCRTR1
SCHEMBL25385125 0.80 CHIT1 (0.42) CHIT1CHIACHI3L1KCNH2HCRTR1
SCHEMBL28692423 0.79 CHIT1 (0.48) CHIT1CHIACHI3L1KCNH2HCRTR1
SCHEMBL18577112 0.79 CHIT1 (0.48) CHIT1CHIACHI3L1KCNH2HCRTR1
SCHEMBL26605744 0.79 CHIT1 (0.50) CHIT1CHIACHI3L1KCNH2HCRTR1
SCHEMBL18577375 0.79 CHIT1 (0.53) CHIT1CHIACHI3L1KCNH2HCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348516-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS MOLECURE S.A. (PL) 2023-11-02 — — US disclosed
EP-4269400-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS Molecure SA (PL) 2023-11-01 — — EP disclosed
US-20230278996-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS MOLECURE S.A. (PL) 2023-09-07 — — US disclosed
CN-114174280-A Substituted aminotriazoles useful as chitinase inhibitors 昂科艾伦迪治疗法公司 2022-03-11 — — CN disclosed
US-20190345137-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS GALAPAGOS NV (BE) 2019-11-14 — — US disclosed
US-10208020-B2 Substituted amino triazoles useful as human chitinase inhibitors Oncoarendi Therapeutics S.A. (PL) 2019-02-19 — — US disclosed
EP-3344616-B1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS ONCOARENDI THERAPEUTICS SA (PL) 2019-01-09 — — EP disclosed
US-20180258071-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS GALAPAGOS NV (BE) 2018-09-13 — — US disclosed
EP-3344616-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS ONCOARENDI THERAPEUTICS S.A. (PL) 2018-07-11 — — 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
WO-2017037670-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS OncoArendi Therapeutics Sp. z o.o. (PL) 2017-03-09 — — 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 (6 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 1/4885CHI3L1 4/4885
US-20230278996-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS CHI3L1, CHI3L2, CHIA CHIT1 4/4885CHIA 3/4885CHI3L1 1/4885
US-20230348516-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS CHI3L1, CHI3L2, CHIA CHIT1 4/4885CHIA 3/4885CHI3L1 1/4885
US-10208020-B2 Substituted amino triazoles useful as human chitinase inhibitors CHIA, CHIT1, AADAC CHIT1 2/4885CHIA 1/4885CHI3L1 4/4885
US-20170066743-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS CHIA, CHIT1, AADAC CHIT1 2/4885CHIA 1/4885CHI3L1 4/4885
US-20180258071-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS CHIA, CHIT1, AADAC CHIT1 2/4885CHIA 1/4885CHI3L1 4/4885

“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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