Sugi Predict

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SCHEMBL3315332

SCHEMBL3315332

COC(=O)C(N)Cc1ccc2cc(-c3c(Cl)cccc3Cl)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.44
▸ PTGS2 P35354 1/20 0.41
▸ SLC7A5 Q01650 2/20 0.41
▸ ABL1 P00519 1/20 0.40
▸ FABP3 P05413 1/20 0.40
▸ FABP4 P15090 1/20 0.40
▸ FABP5 Q01469 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.39
▸ ITGB1 P05556 1/20 0.39
▸ ITGAV P06756 1/20 0.39
▸ JAK2 O60674 1/20 0.38
▸ TYK2 P29597 1/20 0.38
▸ PRCP P42785 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ PPARD Q03181 1/20 0.38
▸ PPARA Q07869 1/20 0.38

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
Hydrochloric Acid SCHEMBL4626419 0.99 ALDH1A1 (0.46) ALDH1A1PTGS2SLC7A5ABL1FABP3
SCHEMBL13398420 0.86 ALDH1A1 (0.52) ALDH1A1SLC7A5HTR2AHTR2CHTR2B
SCHEMBL3319945 0.85 GRIA2 (0.49) PTGS2SLC7A5HTR2A
Hydrochloric Acid SCHEMBL3313215 0.84 GRIA2 (0.48) PTGS2SLC7A5HTR2A
SCHEMBL4750010 0.82 ITGB1 (0.59) ALDH1A1PTGS2SLC7A5ABL1ITGB1
SCHEMBL3313415 0.82 ITGB1 (0.59) ALDH1A1PTGS2SLC7A5ABL1ITGB1
SCHEMBL4625235 0.81 ITGB1 (0.56) HDAC1HDAC6ITGB1ITGAV
SCHEMBL5845125 0.81 HTR2A (0.57) ALDH1A1HTR2AHTR2CHTR2BPPARG
SCHEMBL237566 0.81 HTR2A (0.57) ALDH1A1HTR2AHTR2CHTR2BPPARG
SCHEMBL4633497 0.81 HTR2A (0.57) ALDH1A1HTR2AHTR2CHTR2BPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105681-A1 2,6-QUINOLINYL AND 2,6-NAPHTHYL DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS VLA-4 INHIBITORS LASSOIE MARIE-AGNES 2010-04-29 — — US disclosed
US-7638630-B2 Very Late Antigen-4 dependent inflammatory disease; asthma, allergic rhinitis, sinusitis, conjunctivitis, food allergy, inflammatory skin disorders, autoimmune disorders, or atherosclerosis, inflammatory skin disorder; methyl 3-[2-(2,6-dichlorophenyl)-6-quinolinyl]-2-hydroxy-2-propenoate UCB PHARMA S.A. (BE) 2009-12-29 — — US disclosed
US-20080064720-A1 2,6-Quinolinyl And 2,6-Naphthyl Derivatives, Processes For Preparing Them And Their Uses As Vla-4 Inhibitors UCB, S.A. (BE) 2008-03-13 — — 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-20080064720-A1 2,6-Quinolinyl And 2,6-Naphthyl Derivatives, Processes For Preparing Them And Their Uses As Vla-4 Inhibitors VCAM1, HRH4, LTA4H ALDH1A1 2945/4885PTGS2 1255/4885SLC7A5 4357/4885
US-20100105681-A1 2,6-QUINOLINYL AND 2,6-NAPHTHYL DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS VLA-4 INHIBITORS SCN4A, NECTIN4, VPS4B ALDH1A1 1048/4885PTGS2 2788/4885SLC7A5 3615/4885

“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.