SCHEMBL3296991

SCHEMBL3296991

CC(C)(C)n1ncc(C(=O)O)c1C(F)(F)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ PDK2 Q15119 1/20 0.36
▸ TRPA1 O75762 1/20 0.35
▸ KEAP1 Q14145 5/20 0.35
▸ NFE2L2 Q16236 5/20 0.35
▸ KDM4E B2RXH2 5/20 0.34
▸ RAB9A P51151 4/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ NPC1 O15118 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ ATM Q13315 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ NR4A3 Q92570 1/20 0.33

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
SCHEMBL573679 0.88 POLB (0.54) POLBMAPTSMN1; SMN2TRPA1KEAP1
SCHEMBL15750714 0.77 KDM4E (0.37) POLBMAPTSMN1; SMN2KEAP1NFE2L2
SCHEMBL574333 0.75 KDM4E (0.44) POLBMAPTSMN1; SMN2KDM4EKMT2A
SCHEMBL1406800 0.74 ALKBH1 (0.37) POLBMAPTSMN1; SMN2KDM4ERAB9A
Hydrochloric Acid SCHEMBL17995121 0.74 KDM4E (0.42) POLBMAPTSMN1; SMN2KDM4EKMT2A
SCHEMBL27646011 0.74 KDM4E (0.40) POLBMAPTSMN1; SMN2KDM4ERAB9A
SCHEMBL1406639 0.73 TRPA1 (0.42) POLBMAPTSMN1; SMN2PDK2TRPA1
SCHEMBL1406963 0.73 POLB (0.49) POLBMAPTSMN1; SMN2TRPA1KEAP1
SCHEMBL31352094 0.71 KDM4C (0.38) POLBMAPTSMN1; SMN2TRPA1KDM4E
SCHEMBL3295176 0.71 PTGER4 (0.38) POLBMAPTSMN1; SMN2TRPA1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1999114-B1 PYRAZOLES AS 11-BETA-HSD-1 HOFFMANN LA ROCHE (CH) 2015-07-22 — — EP disclosed
EP-2295411-A1 Pyrazoles as 11-beta-hsd-1 F. Hoffmann-La Roche AG (CH) 2011-03-16 — — EP disclosed
US-7728029-B2 Adamantyl-pyrazole carboxamides as inhibitors of 11β-hdroxysteroid dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2010-06-01 — — US disclosed
US-20070225280-A1 Adamantyl-pyrazole carboxamides as inhibitors of 11B-hydroxysteroid dehydrogenase ANDERSON KEVIN WILLIAM 2007-09-27 — — 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-20070225280-A1 Adamantyl-pyrazole carboxamides as inhibitors of 11B-hydroxysteroid dehydrogenase HSD3B2, HSD3B1, HSD17B2 POLB 1549/4885MAPT 4272/4885SMN1; SMN2 3959/4885

“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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