SCHEMBL22903811

SCHEMBL22903811

CC(C)(C)OC(=O)N1C[C@H](CO)OC[C@@H]1Cc1ccc(Br)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 3/20 0.38
▸ NR1H3 Q13133 3/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ RORC P51449 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ SRC P12931 8/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ GPR119 Q8TDV5 2/20 0.35
▸ FPR3 P25089 1/20 0.35
▸ FPR2 P25090 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35

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
SCHEMBL22903606 1.00 NR1H2 (0.38) NR1H2NR1H3KMT2ARORCMEN1
SCHEMBL22903589 0.90 NR1H2 (0.37) NR1H2NR1H3KMT2ARORCCYP3A4
SCHEMBL22903580 0.90 NR1H2 (0.37) NR1H2NR1H3KMT2ARORCCYP3A4
SCHEMBL30612496 0.90 NR1H2 (0.37) NR1H2NR1H3KMT2ARORCCYP3A4
SCHEMBL26707816 0.90 CYP3A4 (0.40) NR1H2NR1H3KMT2AMEN1CYP3A4
SCHEMBL26707623 0.89 KMT2A (0.38) NR1H2NR1H3KMT2ARORCCYP3A4
SCHEMBL18609560 0.89 CHIT1 (0.43) NR1H2NR1H3KMT2AMEN1
SCHEMBL18607648 0.89 CHIT1 (0.43) NR1H2NR1H3KMT2AMEN1
SCHEMBL18589412 0.89 CHIT1 (0.43) NR1H2NR1H3KMT2AMEN1
SCHEMBL26707624 0.88 NR1H2 (0.41) NR1H2NR1H3KMT2ARORCCYP3A4

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-20230348516-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS MOLECURE S.A. (PL) 2023-11-02 — — US disclosed
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
CN-114174280-A Substituted aminotriazoles useful as chitinase inhibitors 昂科艾伦迪治疗法公司 2022-03-11 — — CN disclosed
WO-2021009209-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS CHITINASE INHIBITORS Oncoarendi Therapeutics S.A. (PL) 2021-01-21 — — 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 (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-20230348516-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS CHI3L1, CHI3L2, CHIA NR1H2 3917/4885NR1H3 4094/4885KMT2A 2797/4885
US-11638707-B2 Substituted amino triazoles useful as chitinase inhibitors CHIT1, CHIA, CHI3L1 NR1H2 812/4885NR1H3 708/4885KMT2A 2195/4885

“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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