Sugi Predict

Sugi Predict / Compounds / SCHEMBL22409653

SCHEMBL22409653

SCHEMBL22409653

NC(=O)N(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ GRIN2D O15399 2/20 0.42
▸ GRIN3B O60391 2/20 0.42
▸ GRIN1 Q05586 2/20 0.42
▸ GRIN2A Q12879 2/20 0.42
▸ GRIN2B Q13224 2/20 0.42
▸ GRIN2C Q14957 2/20 0.42
▸ GRIN3A Q8TCU5 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ THRB P10828 2/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ EPHX1 P07099 2/20 0.38
▸ CRHBP P24387 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ MCOLN3 Q8TDD5 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ HSD11B1 P28845 1/20 0.37
▸ LMNA P02545 3/20 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
SCHEMBL6687971 0.81 GRIN2D (0.42) ALDH1A1NPC1GRIN2DGRIN3BGRIN1
SCHEMBL3071615 0.78 GRIN2D (0.44) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28751556 0.77 GRIN2D (0.50) ALDH1A1NPC1GRIN2DGRIN3BGRIN1
SCHEMBL3059708 0.77 ALDH1A1 (0.44) ALDH1A1NPC1GRIN2DGRIN3BGRIN1
SCHEMBL3069932 0.76 GRIN2D (0.42) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3079391 0.76 GRIN2D (0.42) ALDH1A1NPC1GRIN2DGRIN3BGRIN1
SCHEMBL7074351 0.76 GRIN2D (0.42) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6687969 0.76 THRB (0.39) ALDH1A1NPC1GRIN2DGRIN3BGRIN1
SCHEMBL3064174 0.74 ALDH1A1 (0.42) ALDH1A1NPC1GRIN2DGRIN3BGRIN1
SCHEMBL3071705 0.74 ALDH1A1 (0.37) ALDH1A1NPC1GRIN2DGRIN3BGRIN1

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-12077527-B2 Compositions and methods for inhibiting ACSS2 THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2024-09-03 — — US disclosed
US-20220117958-A1 COMPOSITIONS AND METHODS FOR INHIBITING ACSS2 THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2022-04-21 — — US disclosed
US-20200291005-A1 COMPOSITIONS AND METHODS FOR INHIBITING ACSS2 THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2020-09-17 — — US disclosed
CN-111629787-A Compositions and methods for inhibiting ACSS2 宾夕法尼亚大学理事会 2020-09-04 — — CN 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 (3 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-12077527-B2 Compositions and methods for inhibiting ACSS2 ACSS2, ACSL3, ACSL1 ALDH1A1 1325/4885NPC1 1650/4885GRIN2D 692/4885
US-20200291005-A1 COMPOSITIONS AND METHODS FOR INHIBITING ACSS2 ACSS2, ACSL3, ACSL1 ALDH1A1 1325/4885NPC1 1650/4885GRIN2D 692/4885
US-20220117958-A1 COMPOSITIONS AND METHODS FOR INHIBITING ACSS2 ACSS2, ACSL3, ACSL1 ALDH1A1 1325/4885NPC1 1650/4885GRIN2D 692/4885

“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.