Sugi Predict

Sugi Predict / Compounds / SCHEMBL3343642

SCHEMBL3343642

SCHEMBL3343642

CC(N)(C(=O)O)C(=O)c1ccccc1S(C)(=O)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCAT2 O15382 1/20 0.51
▸ LMNA P02545 2/20 0.42
▸ PABPC1 P11940 1/20 0.39
▸ EIF4H Q15056 1/20 0.39
▸ CA1 P00915 3/20 0.39
▸ CA2 P00918 3/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ CA5A P35218 1/20 0.39
▸ F2 P00734 2/20 0.38
▸ PRSS1 P07477 2/20 0.38
▸ PRSS2 P07478 2/20 0.38
▸ PRSS3 P35030 2/20 0.38
▸ MMP1 P03956 1/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ MMP8 P22894 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CYP2C19 P33261 1/20 0.37

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
SCHEMBL3345476 0.77 HPGD (0.44) CYP2C19NPC1RAB9AKMT2A
SCHEMBL22468835 0.77 MAPT (0.48) MMP2ALOX15MAPK1CYP2C19NPC1
SCHEMBL3349740 0.77 HPGD (0.50) LMNACA1CA2CA9ALOX15
SCHEMBL29838630 0.76 BCAT2 (0.62) BCAT2LMNACA1CA2CA9
SCHEMBL34748 0.76 BCAT2 (0.62) BCAT2LMNACA1CA2CA9
SCHEMBL4878726 0.76 ALDH1A1 (0.52) LMNACYP2C19NPC1RAB9AKMT2A
SCHEMBL364343 0.74 BCAT2 (0.56) BCAT2LMNACA1CA2CA9
Hydrochloric Acid SCHEMBL7869876 0.74 BCAT2 (0.61) BCAT2LMNACA1CA2CA9
SCHEMBL4321077 0.74 BCAT2 (0.59) BCAT2LMNAPABPC1EIF4HCA1
SCHEMBL8096242 0.73 BCAT2 (0.47) BCAT2LMNAPABPC1EIF4HCA1

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 BCAT2 3567/4885LMNA 803/4885PABPC1 4863/4885
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 BCAT2 2695/4885LMNA 102/4885PABPC1 4657/4885

“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.