SCHEMBL22042150

SCHEMBL22042150

CC(C)(C)OC(=O)N[C@H](I)CCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.60
CTSS P25774 5/20 0.60
ATM Q13315 1/20 0.52
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
PPARA Q07869 2/20 0.49
PPARG P37231 1/20 0.49
ACE P12821 1/20 0.48
AKT1 P31749 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA7 P43166 1/20 0.47
CA14 Q9ULX7 1/20 0.47
SYK P43405 1/20 0.46
PRSS1 P07477 1/20 0.46
CTSG P08311 1/20 0.46
CTRB1 P17538 1/20 0.46
CMA1 P23946 1/20 0.46

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
SCHEMBL27730329 0.84 CTSK (0.62) CTSKCTSSATMCTSLCTSB
SCHEMBL22042132 0.84 CTSK (0.62) CTSKCTSSATMCTSLCTSB
SCHEMBL28108976 0.84 CTSK (0.62) CTSKCTSSATMCTSLCTSB
SCHEMBL10974978 0.84 CTSK (0.62) CTSKCTSSATM
SCHEMBL10981741 0.84 CTSK (0.62) CTSKCTSSATM
SCHEMBL28733236 0.84 CTSK (0.62) CTSKCTSSATM
SCHEMBL181775 0.83 CTSK (0.71) CTSKCTSSATMCTSLCTSB
SCHEMBL181808 0.83 CTSK (0.71) CTSKCTSSATMCTSLCTSB
SCHEMBL181807 0.83 CTSK (0.71) CTSKCTSSATMCTSLCTSB
SCHEMBL3715954 0.82 CTSK (0.70) CTSKCTSSATMCTSLCTSB

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
CN-111285850-B Isoindoline compounds, preparation method thereof, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2022-04-22 CN disclosed
US-20220041578-A1 ISOINDOLINE COMPOUND, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION OF ISOINDOLINE COMPOUND SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2022-02-10 US disclosed
EP-3896062-A1 ISOINDOLINE COMPOUND, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION OF ISOINDOLINE COMPOUND Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2021-10-20 EP disclosed
CN-111285850-A Isoindoline compounds, preparation method thereof, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2020-06-16 CN disclosed
WO-2020114482-A1 ISOINDOLINE COMPOUND, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION OF ISOINDOLINE COMPOUND 中国科学院上海药物研究所 2020-06-11 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-20220041578-A1 ISOINDOLINE COMPOUND, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION OF ISOINDOLINE COMPOUND CRBN, CUL4B, UBQLN1 CTSK 4414/4885CTSS 4557/4885ATM 2072/4885

“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.