Sugi Predict

Sugi Predict / Compounds / SCHEMBL6323641

SCHEMBL6323641

SCHEMBL6323641

COC(=O)[C@@H](NC(=O)[C@]1(C)CSC(Cc2cc(F)cc(F)c2)=N1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ TACR3 P29371 11/20 0.36
▸ TACR2 P21452 3/20 0.35
▸ TSHR P16473 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ PMP22 Q01453 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ F2 P00734 1/20 0.35
▸ ATM Q13315 1/20 0.34
▸ LMNA P02545 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
SCHEMBL6319285 0.81 MEN1 (0.39) MEN1KMT2ATACR3TACR2TSHR
SCHEMBL6322528 0.76 MEN1 (0.39) MEN1KMT2ATACR3TACR2TSHR
SCHEMBL6320079 0.76 DGAT1 (0.32) —
SCHEMBL27529133 0.67 KDM4E (0.32) TSHRKDM4ECYP3A4CYP2D6CYP2C9
SCHEMBL14886930 0.66 CYP3A4 (0.48) MEN1KMT2AKDM4EALDH1A1CYP3A4
SCHEMBL31173372 0.66 KMT2A (0.47) MEN1KMT2ATACR3TACR2TSHR
SCHEMBL27510954 0.66 PIN1 (0.35) —
SCHEMBL14639330 0.62 KMT2A (0.56) MEN1KMT2ATACR3TACR2TSHR
SCHEMBL4242518 0.62 KMT2A (0.56) MEN1KMT2ATACR3TACR2TSHR
SCHEMBL11040399 0.61 KMT2A (0.58) MEN1KMT2ATACR3TACR2TSHR

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-20030130188-A1 Heterocyclic compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds THORSETT EUGENE D (US) 2003-07-10 — — US claimed
US-6849650-B2 Heterocyclic compounds, pharmaceutical compositions comprising same, and methods for inhibiting β-amyloid peptide release and/or its synthesis by use of such compounds ATHENA NEUROSCIENCES, INC. (US) 2005-02-01 — — US disclosed
US-20030130188-A1 Heterocyclic compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds THORSETT EUGENE D (US) 2003-07-10 — — US disclosed
US-6506782-B1 Compounds which inhibit beta -amyloid peptide release and/or its synthesis, and, accordingly, have utility in treating Alzheimer's disease. Also disclosed are pharmaceutical compositions comprising a compound which inhibits beta ATHENA NEUROSCIENCES, INC. 2003-01-14 — — 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-20030130188-A1 Heterocyclic compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds APP, BACE1, IAPP MEN1 375/4885KMT2A 4743/4885TACR3 1332/4885

“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.