SCHEMBL26798197

SCHEMBL26798197

COC(=O)[C@@H](NC(=O)c1ccc(C#CC#C[C@H]2CCC[C@@H]2OC)cc1)C(C)(C)NCl

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 1/20 0.33
▸ ACACB O00763 4/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ PRSS1 P07477 1/20 0.30
▸ CTSG P08311 1/20 0.30
▸ CTRB1 P17538 1/20 0.30
▸ CMA1 P23946 1/20 0.30
▸ P2RY6 Q15077 1/20 0.30

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
SCHEMBL29997540 0.89 MMP13 (0.34) MMP13ACACBALDH1A1L3MBTL1PRSS1
SCHEMBL24234513 0.88 MMP13 (0.32) MMP13ACACB
SCHEMBL24234516 0.82 — —
SCHEMBL24234509 0.77 PTPN11 (0.41) ALDH1A1
SCHEMBL24234510 0.76 RARB (0.38) MMP13
SCHEMBL16843258 0.74 P2RY6 (0.31) MMP13ACACBL3MBTL1P2RY6
SCHEMBL19534312 0.71 MMP13 (0.34) MMP13ACACBL3MBTL1PRSS1CTSG
SCHEMBL13832382 0.71 ACACB (0.33) MMP13ACACBALDH1A1L3MBTL1P2RY6
SCHEMBL13831123 0.71 ACACB (0.33) MMP13ACACBALDH1A1L3MBTL1P2RY6
SCHEMBL16820846 0.71 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827612-B2 Hydroxamic acid derivative, method for producing same and use thereof INSTITUTE OF MEDICINAL BIOTECHNOLOGY, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2023-11-28 — — 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 (1 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-11827612-B2 Hydroxamic acid derivative, method for producing same and use thereof HACL2, NAAA, LCT MMP13 84/4885ACACB 681/4885ALDH1A1 2190/4885

“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.

Send feedback