Sugi Predict

Sugi Predict / Compounds / SCHEMBL1240161

SCHEMBL1240161

SCHEMBL1240161

CC(=O)OC(C)c1ccccc1CBr

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP12 P39900 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ SLC18A3 Q16572 1/20 0.36
▸ TSHR P16473 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.35
▸ HDAC11 Q96DB2 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ HDAC9 Q9UKV0 1/20 0.35
▸ HDAC5 Q9UQL6 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ POLB P06746 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
SCHEMBL3008825 0.88 MMP12 (0.43) MMP12ALDH1A1CYP3A4SLC18A3TSHR
SCHEMBL5351521 0.85 ALDH1A1 (0.36) MMP12ALDH1A1CYP3A4TSHRLMNA
SCHEMBL9766195 0.80 MMP12 (0.38) MMP12ALDH1A1CYP3A4SLC18A3TSHR
SCHEMBL218138 0.79 HTT (0.45) MMP12ALDH1A1CYP3A4SLC18A3TSHR
SCHEMBL13027401 0.79 HTT (0.45) MMP12ALDH1A1CYP3A4SLC18A3TSHR
SCHEMBL9796287 0.77 CYSLTR2 (0.39) ALDH1A1CYP3A4TSHRPOLB
SCHEMBL16672485 0.77 ESR1 (0.45) MMP12ALDH1A1CYP3A4TSHRPOLB
SCHEMBL9796109 0.76 ALDH1A1 (0.41) ALDH1A1
SCHEMBL9795920 0.75 ALDH1A1 (0.43) ALDH1A1
SCHEMBL19451976 0.75 ALDH1A1 (0.48) MMP12ALDH1A1CYP3A4TSHRLMNA

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-7884204-B2 such as (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-(4-hydroxy-1-methyl-2-oxo-1,2-dihydro-3-quinolinyl)phenyl]propionic acid, used for the teratment of inflammatory diseases, arthritis, inflammatory bowel diseases, lupus, multiple syndrome, asthma, psoriasis, allergies, diabetes and cardiovascular diseases AJINOMOTO CO., INC. (JP) 2011-02-08 — — US disclosed
US-20080280909-A1 NEW PHENYLALANINE DERIVATIVES AJINOMOTO CO., INC. (JP) 2008-11-13 — — US disclosed
US-7250516-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2007-07-31 — — US disclosed
US-20040235848-A1 For therapy of inflammatory diseases, rheumatoid arthritis, inflammatory bowel diseases, systemic erythematodes, multiple sclerosis, Sjogren's syndrome, asthma, psoriasis, allergy, diabetes, cardiovascular diseases, arterial sclerosis AJINOMOTO CO., INC. (JP) 2004-11-25 — — 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 (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-20040235848-A1 For therapy of inflammatory diseases, rheumatoid arthritis, inflammatory bowel diseases, systemic erythematodes, multiple sclerosis, Sjogren's syndrome, asthma, psoriasis, allergy, diabetes, cardiovascular diseases, arterial sclerosis VCAM1, ICAM1, CD40 MMP12 440/4885ALDH1A1 1526/4885CYP3A4 1794/4885
US-20080280909-A1 NEW PHENYLALANINE DERIVATIVES ITGB4, VCAM1, ITGA4 MMP12 756/4885ALDH1A1 1238/4885CYP3A4 499/4885

“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.