Sugi Predict

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SCHEMBL23944803

SCHEMBL23944803

CCOC(=O)C(C(=O)OCC)c1c(F)cc(I)cc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP8 P22894 1/20 0.37
▸ MAP2K2 P36507 1/20 0.36
▸ MAP2K1 Q02750 1/20 0.36
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ PIN1 Q13526 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ GABRA5 P31644 1/20 0.33
▸ GABRA3 P34903 1/20 0.33
▸ GABRA2 P47869 1/20 0.33
▸ GABRA4 P48169 1/20 0.33
▸ GABRA6 Q16445 1/20 0.33

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
SCHEMBL25616282 0.92 GAA (0.35) MMP8MAP2K2MAP2K1MEN1KMT2A
SCHEMBL23944802 0.86 MMP8 (0.42) MMP8MEN1KMT2APIN1CA12
SCHEMBL1477896 0.86 MAPT (0.39) MMP8MEN1KMT2APIN1CA12
SCHEMBL4477937 0.84 CA12 (0.46) MMP8PIN1CA12CA1CA2
SCHEMBL23925490 0.83 LMNA (0.40) MMP8MEN1KMT2APIN1CA12
SCHEMBL1462180 0.81 CYP3A4 (0.43) MMP8KMT2ANPC1GAAPOLB
SCHEMBL23925394 0.79 GPR35 (0.43) MMP8MEN1KMT2ANPSR1MAPT
SCHEMBL6068388 0.79 MAPT (0.36) MMP8MEN1KMT2ANPC1NPSR1
Malonic Acid Diethyl Ester SCHEMBL8019960 0.79 GAA (0.47) MMP8MEN1KMT2ANPSR1MAPT
SCHEMBL6903329 0.79 NLRP3 (0.46) MMP8MEN1KMT2APIN1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4653442-A1 POLYCYCLIC COMPOUND FOR TREATING NEUROLOGICAL DISEASES AND TUMORS SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2025-11-26 — — EP disclosed
WO-2024153202-A1 POLYCYCLIC COMPOUND FOR TREATING NEUROLOGICAL DISEASES AND TUMORS 中国科学院上海有机化学研究所 2024-07-25 — — WO disclosed
CN-118359616-A Polycyclic compounds as therapeutic agents for neurological diseases and tumors 中国科学院上海有机化学研究所 2024-07-19 — — CN disclosed
US-20230167121-A1 SUBSTITUTED {1,2,4,} TRIAZOLO{1,5-A} PYRIMIDINE COMPOUNDS AND USE IN STABILIZING MICROTUBULES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-06-01 — — US disclosed
CN-115397826-A Substituted {1,2,4, } triazolo {1,5-a } pyrimidine compounds and their use for the stabilization of microtubules 宾夕法尼亚大学理事会 2022-11-25 — — CN disclosed
WO-2021211408-A1 SUBSTITUTED {1,2,4,} TRIAZOLO{1,5-A} PYRIMIDINE COMPOUNDS AND USE IN STABILIZING MICROTUBULES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2021-10-21 — — 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 (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-20230167121-A1 SUBSTITUTED {1,2,4,} TRIAZOLO{1,5-A} PYRIMIDINE COMPOUNDS AND USE IN STABILIZING MICROTUBULES MAPT, TUBA4A, MAP4 MMP8 4294/4885MAP2K2 1502/4885MAP2K1 2058/4885

“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.