Sugi Predict

Sugi Predict / Compounds / SCHEMBL9958895

SCHEMBL9958895

SCHEMBL9958895

CC1(C)OB(c2ccc([C@]3(NC(=O)O)C[C@H](F)C3)cc2)OC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 3/20 0.41
▸ F2 P00734 2/20 0.41
▸ PRSS1 P07477 2/20 0.41
▸ PRSS2 P07478 2/20 0.41
▸ PRSS3 P35030 2/20 0.41
▸ LIPG Q9Y5X9 5/20 0.40
▸ LPL P06858 4/20 0.40
▸ P4HB P07237 1/20 0.39
▸ CA1 P00915 8/20 0.39
▸ CA2 P00918 8/20 0.39
▸ CA9 Q16790 8/20 0.39
▸ CA12 O43570 1/20 0.38
▸ CA3 P07451 1/20 0.38
▸ CA4 P22748 1/20 0.38
▸ CA6 P23280 1/20 0.38
▸ CA5A P35218 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ CA5B Q9Y2D0 1/20 0.38
▸ HIF1A Q16665 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
SCHEMBL9958898 1.00 F11 (0.41) F11F2PRSS1PRSS2PRSS3
SCHEMBL2033871 0.88 LIPG (0.41) F11F2PRSS1PRSS2PRSS3
SCHEMBL2033870 0.88 LIPG (0.41) F11F2PRSS1PRSS2PRSS3
SCHEMBL2034656 0.85 LIPG (0.45) F11F2PRSS1PRSS2PRSS3
SCHEMBL15900053 0.84 F11 (0.42) F11F2PRSS1PRSS2PRSS3
SCHEMBL10226740 0.83 AAK1 (0.45) F11F2PRSS1PRSS2PRSS3
SCHEMBL10274517 0.83 AAK1 (0.45) F11F2PRSS1PRSS2PRSS3
SCHEMBL17872784 0.83 LIPG (0.43) F11F2PRSS1PRSS2PRSS3
SCHEMBL2700792 0.83 LIPG (0.43) F11F2PRSS1PRSS2PRSS3
SCHEMBL362044 0.83 LIPG (0.43) F11F2PRSS1PRSS2PRSS3

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-20210070708-A1 Pharmaceutically Active Compounds BERGENBIO ASA (NO) 2021-03-11 — — US disclosed
US-10766861-B2 Pharmaceutically active compounds BERGENBIO ASA (NO) 2020-09-08 — — US disclosed
US-10336702-B2 Pharmaceutically active compounds BERGENBIO ASA (NO) 2019-07-02 — — US disclosed
US-20180029985-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS BERGENBIO AS (NO) 2018-02-01 — — US disclosed
EP-3240784-A2 INHIBITORS OF AKT KINASE BerGenBio ASA (NO) 2017-11-08 — — EP disclosed
WO-2016102672-A2 PHARMACEUTICALLY ACTIVE COMPOUNDS BERGENBIO AS (NO) 2016-06-30 — — WO disclosed
EP-2303269-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2014-07-30 — — EP disclosed
US-8207169-B2 Substituted [1,2,4]triazolo[4′,3′:1,6]pyrido[2,3-b]pyrazines of the formula D MSD K.K. (JP) 2012-06-26 — — 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 (4 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-10336702-B2 Pharmaceutically active compounds UGT2B7, CYP3A5, UGT1A1 F11 373/4885F2 836/4885PRSS1 1265/4885
US-20210070708-A1 Pharmaceutically Active Compounds UGT2B7, CYP3A5, UGT1A1 F11 391/4885F2 836/4885PRSS1 1236/4885
US-10766861-B2 Pharmaceutically active compounds UGT2B7, CYP3A5, UGT1A1 F11 391/4885F2 836/4885PRSS1 1236/4885
US-20180029985-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS UGT2B7, CYP3A5, UGT1A1 F11 373/4885F2 836/4885PRSS1 1265/4885

“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.