SCHEMBL4447717

SCHEMBL4447717

Nc1ccc(-c2cncc(F)c2)cc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 11/20 0.52
CYP11B1 P15538 9/20 0.48
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
PIK3CD O00329 1/20 0.41
KIF11 P52732 1/20 0.40
BACE1 P56817 2/20 0.39
CTSD P07339 1/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
FFAR4 Q5NUL3 1/20 0.38
MPL P40238 2/20 0.37

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
SCHEMBL4442117 0.81 CYP11B2 (0.41) CYP11B2CYP11B1PIK3CDKIF11BACE1
SCHEMBL29403371 0.80 KIF11 (0.50) PIK3CDKIF11FFAR4MPL
SCHEMBL349356 0.80 KIF11 (0.50) PIK3CDKIF11FFAR4MPL
SCHEMBL21044319 0.80 CYP11B2 (0.58) CYP11B2CYP11B1BACE1CTSDPRMT5
Hydrochloric Acid SCHEMBL8644024 0.78 KIF11 (0.48) PIK3CDKIF11FFAR4MPL
SCHEMBL4447715 0.78 CYP11B2 (0.47) CYP11B2CYP11B1
SCHEMBL4442768 0.77 MKNK1 (0.53) CYP11B2CYP11B1PIK3CDKIF11
SCHEMBL2924757 0.76 KIF11 (0.53) CYP11B2CYP11B1PIK3CDKIF11MPL
SCHEMBL5105685 0.75 PIK3CD (0.49) CYP11B2CYP11B1PIK3CDKIF11FFAR4
Hydrochloric Acid SCHEMBL4439149 0.75 KIF11 (0.52) CYP11B2CYP11B1PIK3CDKIF11MPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080167348-A1 NOVEL SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-07-10 US claimed
EP-3717459-B1 COMPOUNDS STEP PHARMA S A S (FR) 2026-01-21 EP disclosed
US-11655246-B2 Aminothiazole compounds as inhibitors of CTPS1 STEP PHARMA S.A.S. (FR) 2023-05-23 US disclosed
US-11655246-B2 Aminothiazole compounds as inhibitors of CTPS1 STEP PHARMA S.A.S. (FR) 2023-05-23 US disclosed
US-20210002269-A1 COMPOUNDS STEP PHARMA S.A.S. (FR) 2021-01-07 US disclosed
EP-2118062-A1 SULFONAMIDE DERIVATIVES AS CHYMASE INHIBITORS F. Hoffmann-Roche AG (CH) 2009-11-18 EP disclosed
WO-2008084004-A1 SULFONAMIDE DERIVATIVES AS CHYMASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-07-17 WO disclosed
US-20080167348-A1 NOVEL SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-07-10 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-11655246-B2 Aminothiazole compounds as inhibitors of CTPS1 CTPS1, CTPS2, TBXAS1 CYP11B2 1869/4885CYP11B1 1418/4885GRIN1 3207/4885
US-20210002269-A1 COMPOUNDS UGT1A1, CYP1A1, CYP19A1 CYP11B2 6/4885CYP11B1 5/4885GRIN1 375/4885
US-20080167348-A1 NOVEL SULFONAMIDE DERIVATIVES CMA1, ARSA, TPSAB1 CYP11B2 2356/4885CYP11B1 2751/4885GRIN1 3965/4885

“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.