SCHEMBL18097828

SCHEMBL18097828

CC(=O)c1cc(OS(=O)(=O)C(F)(F)F)ccc1F

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.56
KAT6A Q92794 3/20 0.42
CXCR2 P25025 2/20 0.42
CXCR1 P25024 1/20 0.41
HTR1A P08908 3/20 0.39
HTR1D P28221 3/20 0.39
HTR1B P28222 3/20 0.39
MAOB P27338 3/20 0.39
MAOA P21397 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
ALDH1A1 P00352 1/20 0.36
STS P08842 1/20 0.36

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
SCHEMBL19179854 0.88 HSD11B1 (0.56) HSD11B1CXCR2CXCR1HTR1AHTR1D
SCHEMBL27351302 0.84 HSD11B1 (0.56) HSD11B1CXCR2CXCR1HTR1AHTR1D
SCHEMBL1748180 0.81 HSD11B1 (0.56) HSD11B1CXCR2CXCR1HTR1AHTR1D
SCHEMBL3362412 0.80 HSD11B1 (0.55) HSD11B1CXCR2CXCR1HTR1AHTR1D
SCHEMBL17480164 0.79 ABL1 (0.46) MAOBMAOA
SCHEMBL29786514 0.79 ABL1 (0.46) MAOBMAOA
SCHEMBL3491420 0.78 HSD11B1 (0.50) HSD11B1ALDH1A1
SCHEMBL27636766 0.78 HSD11B1 (0.53) HSD11B1CXCR2CXCR1HTR1AHTR1D
SCHEMBL17355686 0.77 HTR1D (0.43) HSD11B1CXCR2CXCR1HTR1AHTR1D
SCHEMBL5565709 0.77 ALDH1A1 (0.51) HSD11B1CXCR2CXCR1HTR1AHTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11034687-B2 BACE1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2021-06-15 US disclosed
CN-107406440-B BACE1 inhibitors 豪夫迈·罗氏有限公司 2021-05-07 CN disclosed
US-20200308166-A1 BACE1 INHIBITORS HOFFMANN-LA ROCHE INC. 2020-10-01 US disclosed
EP-3271355-B1 BACE1 INHIBITORS HOFFMANN LA ROCHE (CH) 2020-07-29 EP disclosed
US-10723729-B2 BACE1 inhibitors Hoffmann-Le Roche Inc. (US) 2020-07-28 US disclosed
US-20190337936-A1 BACE1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2019-11-07 US disclosed
US-10399969-B2 BACE1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2019-09-03 US disclosed
US-20180319787-A1 BACE1 INHIBITORS HOFFMANN-LA ROCHE INC. 2018-11-08 US disclosed
US-20180057485-A1 BACE1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2018-03-01 US disclosed
EP-3271355-A1 BACE1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2018-01-24 EP disclosed
WO-2016150785-A1 BACE1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2016-09-29 WO 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 (7 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-20190337936-A1 BACE1 INHIBITORS BACE1, BACE2, APP HSD11B1 138/4885KAT6A 2630/4885CXCR2 4050/4885
US-10399969-B2 BACE1 inhibitors BACE1, BACE2, APP HSD11B1 138/4885KAT6A 2630/4885CXCR2 4050/4885
US-20180319787-A1 BACE1 INHIBITORS BACE1, BACE2, APP HSD11B1 138/4885KAT6A 2630/4885CXCR2 4050/4885
US-20200308166-A1 BACE1 INHIBITORS BACE1, BACE2, APP HSD11B1 138/4885KAT6A 2630/4885CXCR2 4050/4885
US-10723729-B2 BACE1 inhibitors BACE1, BACE2, APP HSD11B1 138/4885KAT6A 2630/4885CXCR2 4050/4885
US-20180057485-A1 BACE1 INHIBITORS BACE1, BACE2, APP HSD11B1 138/4885KAT6A 2630/4885CXCR2 4050/4885
US-11034687-B2 BACE1 inhibitors BACE1, BACE2, APP HSD11B1 138/4885KAT6A 2630/4885CXCR2 4050/4885

“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.