Sugi Predict

Sugi Predict / Compounds / SCHEMBL9892904

SCHEMBL9892904

SCHEMBL9892904

CCC(=O)Nc1cc(CC(C)(C)C)no1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 4/20 0.54
▸ ALDH1A1 P00352 4/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ LMNA P02545 1/20 0.42
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CTSD P07339 1/20 0.36
▸ BACE1 P56817 1/20 0.36
▸ POLB P06746 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ CNR2 P34972 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ HTT P42858 1/20 0.34

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
SCHEMBL9893071 0.84 MAPK14 (0.56) MAPK14ALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL9891519 0.83 MAPK14 (0.55) MAPK14ALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL9891916 0.82 MAPK14 (0.57) MAPK14ALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL26789822 0.78 ALDH1A1 (0.53) MAPK14ALDH1A1SMN1; SMN2LMNACNR2
SCHEMBL9892786 0.78 ALDH1A1 (0.65) MAPK14ALDH1A1SMN1; SMN2LMNACNR2
SCHEMBL24410177 0.78 MAPK14 (0.48) MAPK14ALDH1A1SMN1; SMN2KDM4E
SCHEMBL29665102 0.77 MAPK14 (0.50) MAPK14ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL14647382 0.77 ALDH1A1 (0.51) MAPK14ALDH1A1SMN1; SMN2LMNACNR2
SCHEMBL1619870 0.76 CNR2 (0.55) MAPK14ALDH1A1CNR2
SCHEMBL24410842 0.76 KMT2A (0.47) MAPK14ALDH1A1LMNAKMT2AMEN1

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
US-20230312544-A1 COMPOUNDS USEFUL FOR INHIBITING RET KINASE LOXO ONCOLOGY, INC. 2023-10-05 — — US disclosed
US-11613533-B2 Compounds useful for inhibiting RET kinase ELI LILLY AND COMPANY (US) 2023-03-28 — — US disclosed
CN-115667253-A Compounds useful for inhibition of RET kinase 伊莱利利公司 2023-01-31 — — CN disclosed
US-8383615-B2 Azetidine 2-carboxamide derivatives which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-26 — — US disclosed
US-20120142666-A1 Azetidine 2-Carboxamide Derivatives Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 — — 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 (3 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-11613533-B2 Compounds useful for inhibiting RET kinase RET, GFRA3, GFRA1 MAPK14 560/4885ALDH1A1 2702/4885SMN1; SMN2 150/4885
US-20120142666-A1 Azetidine 2-Carboxamide Derivatives Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 MAPK14 1715/4885ALDH1A1 1724/4885SMN1; SMN2 4282/4885
US-20230312544-A1 COMPOUNDS USEFUL FOR INHIBITING RET KINASE RET, GFRA3, GFRA1 MAPK14 560/4885ALDH1A1 2702/4885SMN1; SMN2 150/4885

“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.