SCHEMBL24513138

SCHEMBL24513138

Cc1sc2ccc(C(C)C)cc2c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ SCN4A P35499 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ PFKFB3 Q16875 8/20 0.36
▸ PFKFB4 Q16877 4/20 0.36
▸ TRPA1 O75762 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ CACNA1C Q13936 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ PIM2 Q9P1W9 1/20 0.36
▸ PARP15 Q460N3 1/20 0.36
▸ PARP10 Q53GL7 1/20 0.36
▸ TNKS2 Q9H2K2 1/20 0.36
▸ PARP2 Q9UGN5 1/20 0.36
▸ EIF4A3 P38919 1/20 0.36
▸ ROCK1 Q13464 2/20 0.33
▸ KIF11 P52732 1/20 0.32
▸ GAA P10253 2/20 0.32

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
SCHEMBL22479061 0.82 NPC1 (0.37) LMNANPC1SCN4ARAB9ASMN1; SMN2
SCHEMBL20114351 0.81 PFKFB3 (0.43) LMNANPC1SCN4ARAB9ASMN1; SMN2
SCHEMBL13522721 0.78 NPC1 (0.44) LMNANPC1SCN4ARAB9ASMN1; SMN2
SCHEMBL17339892 0.77 IDO1 (0.45) RAB9APIM1PIM2PARP15PARP10
SCHEMBL13772192 0.74 LMNA (0.39) LMNANPC1SCN4ARAB9ASMN1; SMN2
SCHEMBL1102421 0.70 GPR3 (0.54) NPC1SCN4ARAB9ASMN1; SMN2PFKFB3
SCHEMBL24513019 0.70 APP (0.40) LMNANPC1SCN4ARAB9ASMN1; SMN2
SCHEMBL20079931 0.70 PFKFB3 (0.34) LMNANPC1SCN4ARAB9ASMN1; SMN2
SCHEMBL22675062 0.70 PIM1 (0.40) LMNANPC1SCN4ARAB9ASMN1; SMN2
SCHEMBL11714081 0.69 RAB9A (0.45) LMNANPC1SCN4ARAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230133504-A1 METHOD OF TREATING GRAFT-VERSUS-HOST DISEASE REGENTS OF THE UNIVERSITY OF MICHIGAN 2023-05-04 — — US disclosed
US-20220185831-A1 STAT3 PROTEIN DEGRADERS UNIV MICHIGAN REGENTS (US) 2022-06-16 — — 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-20220185831-A1 STAT3 PROTEIN DEGRADERS STAT3, JAK2, STAT5A LMNA 3655/4885NPC1 4173/4885SCN4A 2511/4885
US-20230133504-A1 METHOD OF TREATING GRAFT-VERSUS-HOST DISEASE HLA-DRB1, CD74, HLA-C LMNA 4779/4885NPC1 952/4885SCN4A 4739/4885

“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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