Sugi Predict

Sugi Predict / Compounds / SCHEMBL6845293

SCHEMBL6845293

SCHEMBL6845293

CCC1CCC(C)(C(=O)O)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR3 O14843 1/20 0.54
▸ ALDH1A1 P00352 4/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ ARG1 P05089 1/20 0.35
▸ ARG2 P78540 1/20 0.35
▸ MAPK1 P28482 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ THPO P40225 1/20 0.34
▸ STAT6 P42226 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ GMNN O75496 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
SCHEMBL11573005 1.00 FFAR3 (0.54) FFAR3ALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL5888211 0.88 FFAR3 (0.44) FFAR3ALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL9627093 0.83 FFAR3 (0.50) FFAR3ALDH1A1SMN1; SMN2ARG1ARG2
SCHEMBL21987739 0.83 FFAR3 (0.45) FFAR3ARG1ARG2
SCHEMBL21987741 0.83 FFAR3 (0.45) FFAR3ARG1ARG2
SCHEMBL21987725 0.83 FFAR3 (0.54) FFAR3ALDH1A1SMN1; SMN2ARG1ARG2
SCHEMBL20530197 0.83 FFAR3 (0.54) FFAR3ALDH1A1SMN1; SMN2ARG1ARG2
SCHEMBL9045467 0.83 FFAR3 (0.54) FFAR3ALDH1A1SMN1; SMN2ARG1ARG2
SCHEMBL9043478 0.81 FFAR3 (0.52) FFAR3ALDH1A1SMN1; SMN2ARG1ARG2
SCHEMBL20294017 0.81 FFAR3 (0.52) FFAR3ALDH1A1SMN1; SMN2ARG1ARG2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-54098745-A — — None — — JP disclosed
US-8524738-B2 Quinolinones and quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2013-09-03 — — US disclosed
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-08-23 — — US disclosed
US-20120178744-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-07-12 — — US disclosed
WO-2011053948-A1 ACYLAMINO-SUBSTITUTED CYCLIC CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2011-05-05 — — WO disclosed
JP-S5498745-A NOVEL CYCLOHEXANECARBOXYLIC ACID DERIVATIVE HISAMITSU PHARMACEUT CO INC 1979-08-03 — — JP 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 (2 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-20120178744-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS MTOR, RICTOR, RPTOR FFAR3 2223/4885ALDH1A1 4261/4885SMN1; SMN2 4224/4885
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 FFAR3 4337/4885ALDH1A1 3142/4885SMN1; SMN2 4152/4885

“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.