SCHEMBL6782907

SCHEMBL6782907

CC(C)(C)OC(=O)N1CCC[C@H]1CCN(O)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 2/20 0.46
▸ JAK2 O60674 1/20 0.45
▸ JAK1 P23458 1/20 0.45
▸ KLK7 P49862 1/20 0.45
▸ OPRD1 P41143 1/20 0.43
▸ KDM1A O60341 1/20 0.42
▸ NR1H2 P55055 2/20 0.41
▸ NR1H3 Q13133 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ PRMT5 O14744 1/20 0.41
▸ STS P08842 1/20 0.41
▸ HCRTR2 O43614 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MAPT P10636 1/20 0.40

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
SCHEMBL3046705 0.84 KLK7 (0.49) KLK7OPRD1KDM1ANR1H2NR1H3
SCHEMBL2689602 0.84 KLK7 (0.49) KLK7OPRD1KDM1ANR1H2NR1H3
SCHEMBL13086596 0.84 KLK7 (0.49) KLK7OPRD1KDM1ANR1H2NR1H3
SCHEMBL13086758 0.82 MEN1 (0.50) KLK7OPRD1MEN1KMT2A
SCHEMBL698218 0.81 NR1H2 (0.54) KLK7OPRD1KDM1ANR1H2NR1H3
SCHEMBL27854990 0.81 NR1H2 (0.54) KLK7OPRD1KDM1ANR1H2NR1H3
SCHEMBL698422 0.81 NR1H2 (0.54) KLK7OPRD1KDM1ANR1H2NR1H3
SCHEMBL30511053 0.81 KLK7 (0.47) ATMJAK2JAK1KLK7OPRD1
SCHEMBL30511049 0.81 KLK7 (0.47) ATMJAK2JAK1KLK7OPRD1
SCHEMBL13086595 0.81 MEN1 (0.49) KLK7OPRD1MEN1KMT2A

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-6720346-B2 (4-AMINOTHIAZOL-2-YLAMINO)-BENZAMIDE COMPOUNDS; PROTEIN KINASE INHIBITORS; CANCER; AUTOIMMUNE, VIRAL, FUNGAL, NEURODEGENERATIVE, AND CARDIOVASCULAR DISORDERS AGOURON PHARMACEUTICALS, INC. 2004-04-13 — — US disclosed
US-20030225147-A1 Thiazole benzamide derivatives and pharmaceutical compositions for inhibiting cell proliferation, and methods for their use AGOURON PHARMACEUTICALS INC. 2003-12-04 — — 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-20030225147-A1 Thiazole benzamide derivatives and pharmaceutical compositions for inhibiting cell proliferation, and methods for their use TK1, MKI67, CDKN1A ATM 437/4885JAK2 41/4885JAK1 55/4885

“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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