SCHEMBL24170958

SCHEMBL24170958

CN(C)CC(=O)N1CCC[C@H](CNC(C)(C)C)C1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 2/20 0.39
▸ ITGA2B P08514 2/20 0.39
▸ ALDH1A1 P00352 8/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ DPP4 P27487 1/20 0.36
▸ DPP8 Q6V1X1 1/20 0.36
▸ DPP9 Q86TI2 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ F2R P25116 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ ACKR3 P25106 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ EPHX2 P34913 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
SCHEMBL24171102 1.00 ITGB3 (0.39) ITGB3ITGA2BALDH1A1JAK2JAK1
SCHEMBL24171116 1.00 ITGB3 (0.39) ITGB3ITGA2BALDH1A1JAK2JAK1
SCHEMBL24171996 0.88 DPP4 (0.40) ITGB3ITGA2BALDH1A1JAK2JAK1
SCHEMBL21430433 0.85 ITGB3 (0.41) ITGB3ITGA2BALDH1A1JAK2JAK1
SCHEMBL24170768 0.84 ITGB3 (0.38) ITGB3ITGA2BALDH1A1JAK1KDM4E
SCHEMBL23710028 0.83 ITGB3 (0.43) ITGB3ITGA2BALDH1A1JAK2JAK1
SCHEMBL24171131 0.81 METAP1 (0.39) ITGB3ITGA2BALDH1A1KDM4EDPP4
SCHEMBL24171559 0.81 METAP1 (0.39) ITGB3ITGA2BALDH1A1KDM4EDPP4
SCHEMBL24170784 0.81 METAP1 (0.39) ITGB3ITGA2BALDH1A1KDM4EDPP4
SCHEMBL24170795 0.81 GAA (0.43) ITGB3ITGA2BALDH1A1KDM4EGAA

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-20220002290-A1 TRIFLUOROMETHYL-SUBSTITUTED SULFONAMIDE AS BCL-2-SELECTIVE INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2022-01-06 — — 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-20220002290-A1 TRIFLUOROMETHYL-SUBSTITUTED SULFONAMIDE AS BCL-2-SELECTIVE INHIBITOR BCL2L11, BCL2, BCL2L2 ITGB3 4779/4885ITGA2B 4539/4885ALDH1A1 2458/4885

“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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