Sugi Predict

Sugi Predict / Compounds / SCHEMBL5104544

SCHEMBL5104544

SCHEMBL5104544

FC(F)(F)Cn1c(-c2ccccc2)nnc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 7/20 0.60
▸ TSHR P16473 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ CTSD P07339 3/20 0.34
▸ BACE1 P56817 3/20 0.34
▸ BACE2 Q9Y5Z0 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ PTGES O14684 1/20 0.33
▸ HSD17B1 P14061 1/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32

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
SCHEMBL5098753 0.83 HSD11B1 (0.68) HSD11B1TSHRMAPK1SMN1; SMN2HTT
SCHEMBL5092071 0.82 HSD11B1 (0.63) HSD11B1TSHRMAPK1SMN1; SMN2HTT
SCHEMBL5092262 0.81 HSD11B1 (0.44) HSD11B1TSHRSMN1; SMN2HTTALDH1A1
SCHEMBL5095890 0.81 HSD11B1 (0.69) HSD11B1TSHRMAPK1SMN1; SMN2HTT
SCHEMBL5098135 0.80 HSD11B1 (0.60) HSD11B1MAPK1CTSDBACE1BACE2
SCHEMBL14301956 0.80 HSD11B1 (0.60) HSD11B1TSHRMAPK1SMN1; SMN2HTT
SCHEMBL5098106 0.79 HSD11B1 (0.66) HSD11B1TSHRALDH1A1KDM4E
SCHEMBL5104962 0.78 HSD11B1 (0.57) HSD11B1CTSDBACE1BACE2ALDH1A1
Fig 1 SCHEMBL5095865 0.75 HSD11B1 (1.00) HSD11B1TSHRMAPK1SMN1; SMN2HTT
SCHEMBL5105050 0.75 HSD11B1 (0.54) HSD11B1TSHRSMN1; SMN2ALDH1A1

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
US-7329683-B2 11-β-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK & CO., INC. (US) 2008-02-12 — — US disclosed
US-7329683-B2 11-β-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK & CO., INC. (US) 2008-02-12 — — US disclosed
US-7329683-B2 11-β-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK & CO., INC. (US) 2008-02-12 — — US disclosed
US-20050070720-A1 11-Beta-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK SHARP & DOHME CORP. 2005-03-31 — — 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-20050070720-A1 11-Beta-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia HSD11B1, HSD17B1, HSD11B2 HSD11B1 1/4885TSHR 2731/4885MAPK1 358/4885

“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.