Sugi Predict

Sugi Predict / Compounds / SCHEMBL10001421

SCHEMBL10001421

SCHEMBL10001421

CCCNC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](O)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ EPHX1 P07099 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ POLB P06746 2/20 0.35
▸ EPHX2 P34913 1/20 0.33
▸ MMP1 P03956 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ MMP3 P08254 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNB4 P30926 1/20 0.33
▸ CHRNA3 P32297 1/20 0.33
▸ CHRNA7 P36544 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ LMNA P02545 1/20 0.33

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
SCHEMBL595423 1.00 MEN1 (0.39) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL17838782 0.90 KMT2A (0.41) KMT2AEPHX1EPHX2MMP2
SCHEMBL17838781 0.90 KMT2A (0.41) KMT2AEPHX1EPHX2MMP2
SCHEMBL16408935 0.81 EPHX2 (0.41) KMT2AKDM4EEPHX2SMN1; SMN2
SCHEMBL596288 0.77 POLB (0.36) MEN1KMT2AL3MBTL1ALDH1A1POLB
SCHEMBL10001423 0.77 POLB (0.36) MEN1KMT2AL3MBTL1ALDH1A1POLB
SCHEMBL6360716 0.77 POLB (0.44) MEN1KMT2AALDH1A1EPHX1KDM4E
SCHEMBL14088977 0.76 EPHX2 (0.48) EPHX1KDM4EEPHX2LMNA
SCHEMBL16408932 0.75 THRB (0.34) ALDH1A1
SCHEMBL17923800 0.74 MEN1 (0.41) MEN1KMT2AL3MBTL1ALDH1A1MAPT

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
US-8906965-B2 Anti-inflammatory quinic acid derivatives for radioprotection/radiomitigation THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2014-12-09 — — US disclosed
US-20120283331-A1 Anti-Inflammatory Quinic Acid Derivatives for Radioprotection/Radiomitigation UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2012-11-08 — — US disclosed
US-8115031-B2 Anti-inflammatory quinic acid derivatives for oral administration THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2012-02-14 — — US disclosed
WO-2010132504-A1 ANTI-INFLAMMATORY QUINIC ACID DERIVATIVES FOR RADIOPROTECTION/RADIOMITIGATION UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2010-11-18 — — WO disclosed
US-20090234015-A1 Anti-Inflammatory Quinic Acid Derivatives for Oral Administration THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2009-09-17 — — US disclosed
WO-2009062200-A1 ANTI-INFLAMMATORY QUINIC ACID DERIVATIVES FOR ORAL ADMINISTRATION UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2009-05-14 — — 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 (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-20090234015-A1 Anti-Inflammatory Quinic Acid Derivatives for Oral Administration NFKBIA, NFRKB, IKBKB MEN1 4834/4885KMT2A 3429/4885L3MBTL1 4487/4885
US-20120283331-A1 Anti-Inflammatory Quinic Acid Derivatives for Radioprotection/Radiomitigation NQO2, SQSTM1, CTSA MEN1 4075/4885KMT2A 3967/4885L3MBTL1 1571/4885

“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.