Sugi Predict

Sugi Predict / Compounds / SCHEMBL17872425

SCHEMBL17872425

SCHEMBL17872425

CC1(O)CC(C(=O)O)(c2ccc(Cl)cc2F)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 3/20 0.38
▸ AKR1C2 P52895 3/20 0.38
▸ AKR1C1 Q04828 2/20 0.38
▸ KMT2A Q03164 2/20 0.35
▸ AKR1B1 P15121 2/20 0.35
▸ HCAR2 Q8TDS4 1/20 0.35
▸ SRD5A1 P18405 2/20 0.34
▸ SRD5A2 P31213 2/20 0.34
▸ BACE1 P56817 2/20 0.34
▸ PPARG P37231 2/20 0.34
▸ PPARA Q07869 2/20 0.34
▸ AKR1B10 O60218 1/20 0.34
▸ AKR1C4 P17516 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ APP P05067 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ PSEN1 P49768 1/20 0.34
▸ PSEN2 P49810 1/20 0.34

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
SCHEMBL19813431 1.00 AKR1C3 (0.38) AKR1C3AKR1C2AKR1C1KMT2AAKR1B1
SCHEMBL17872477 0.85 SMN1; SMN2 (0.36) KMT2ABACE1ALDH1A1PSEN1PSEN2
SCHEMBL17872629 0.85 SMN1; SMN2 (0.36) KMT2ABACE1ALDH1A1PSEN1PSEN2
SCHEMBL348608 0.83 AKR1C3 (0.49) AKR1C3AKR1C2AKR1C1KMT2APPARG
SCHEMBL31759338 0.83 AKR1C3 (0.49) AKR1C3AKR1C2AKR1C1KMT2APPARG
SCHEMBL27300643 0.80 AKR1C3 (0.37) AKR1C3AKR1C2AKR1C1KMT2ASRD5A1
SCHEMBL19813525 0.79 PDE2A (0.40) KMT2AAKR1B1HCAR2SRD5A1SRD5A2
SCHEMBL17872565 0.79 PDE2A (0.40) KMT2AAKR1B1HCAR2SRD5A1SRD5A2
SCHEMBL19813527 0.79 PDE2A (0.40) KMT2AAKR1B1HCAR2SRD5A1SRD5A2
SCHEMBL17872436 0.79 KMT2A (0.40) AKR1C3AKR1C2AKR1C1KMT2AAKR1B1

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 7 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
CN-107207472-B Inhibitors of AKT kinase 卑尔根生物股份公司 2020-08-14 — — CN 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

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 AKR1C3 235/4885AKR1C2 225/4885AKR1C1 264/4885
US-20210070708-A1 Pharmaceutically Active Compounds UGT2B7, CYP3A5, UGT1A1 AKR1C3 224/4885AKR1C2 222/4885AKR1C1 246/4885
US-10766861-B2 Pharmaceutically active compounds UGT2B7, CYP3A5, UGT1A1 AKR1C3 224/4885AKR1C2 222/4885AKR1C1 246/4885
US-20180029985-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS UGT2B7, CYP3A5, UGT1A1 AKR1C3 235/4885AKR1C2 225/4885AKR1C1 264/4885

“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.