SCHEMBL25384643

SCHEMBL25384643

COC(=O)c1ccnc(N2CCC(N3C[C@H](C)OC[C@@H]3Cc3ccc(Cl)cc3)CC2)c1F

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CHIA Q9BZP6 19/20 0.67
▸ CHIT1 Q13231 18/20 0.67
▸ CHI3L1 P36222 14/20 0.67
▸ KCNH2 Q12809 8/20 0.67
▸ CHI3L2 Q15782 4/20 0.67

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
SCHEMBL26210447 0.91 CHIA (0.70) CHIACHIT1CHI3L1KCNH2CHI3L2
SCHEMBL25383918 0.90 CHIA (0.62) CHIACHIT1CHI3L1KCNH2CHI3L2
SCHEMBL25383929 0.89 CHIA (0.62) CHIACHIT1CHI3L1KCNH2CHI3L2
SCHEMBL26210424 0.89 CHIA (0.71) CHIACHIT1CHI3L1KCNH2CHI3L2
Trifluoroacetic Acid SCHEMBL25383921 0.87 CHIA (0.65) CHIACHIT1CHI3L1KCNH2CHI3L2
Trifluoroacetic Acid SCHEMBL25384839 0.85 CHIA (0.67) CHIACHIT1CHI3L1KCNH2CHI3L2
SCHEMBL26210418 0.85 CHIA (0.75) CHIACHIT1CHI3L1KCNH2CHI3L2
Trifluoroacetic Acid SCHEMBL25384022 0.83 CHIA (0.66) CHIACHIT1CHI3L1KCNH2CHI3L2
SCHEMBL26221680 0.83 CHIA (0.58) CHIACHIT1CHI3L1KCNH2CHI3L2
SCHEMBL25384305 0.82 CHIA (0.75) CHIACHIT1CHI3L1KCNH2CHI3L2

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-12325701-B2 YKL-40 inhibitors and their therapeutic MOLECURE S.A. (PL) 2025-06-10 — — US disclosed
US-20230278996-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS MOLECURE S.A. (PL) 2023-09-07 — — US disclosed
US-20230278996-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS MOLECURE S.A. (PL) 2023-09-07 — — US disclosed
US-20230278996-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS MOLECURE S.A. (PL) 2023-09-07 — — 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-20230278996-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS CHI3L1, CHI3L2, CHIA CHIA 3/4885CHIT1 4/4885CHI3L1 1/4885
US-12325701-B2 YKL-40 inhibitors and their therapeutic CHI3L1, CHI3L2, CHIA CHIA 3/4885CHIT1 5/4885CHI3L1 1/4885

“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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