Sugi Predict

Sugi Predict / Compounds / SCHEMBL3345467

SCHEMBL3345467

SCHEMBL3345467

CC(CN)(C(=O)O)C(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 6/20 0.45
▸ SRC P12931 1/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.41
▸ TDP1 Q9NUW8 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ TSHR P16473 3/20 0.40
▸ POLB P06746 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ HIF1A Q16665 2/20 0.40
▸ PARP1 P09874 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ PMP22 Q01453 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39

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
SCHEMBL4808857 0.82 CES1 (0.47) CES1SRCTDP1MAPTTSHR
SCHEMBL11424538 0.81 CES1 (0.45) CES1SRCTDP1MAPTTSHR
SCHEMBL4920913 0.81 CES1 (0.45) CES1SRCTDP1MAPTTSHR
SCHEMBL9076468 0.80 CES1 (0.48) CES1SRCTAAR1TDP1MAPT
SCHEMBL31063861 0.79 KMT2A (0.47) CES1SRCTDP1MAPTTSHR
SCHEMBL8462267 0.78 CES1 (0.50) CES1SRCTDP1MAPTTSHR
SCHEMBL822013 0.77 ALDH1A1 (0.50) CES1SRCTDP1MAPTTSHR
SCHEMBL10607551 0.77 CES1 (0.46) CES1TDP1MAPTL3MBTL1ALDH1A1
SCHEMBL11401784 0.75 PPARA (0.46) CES1SRCMAPTPOLBMAPK1
SCHEMBL4811611 0.75 CES1 (0.42) CES1SRCTDP1MAPTTSHR

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-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
WO-1999020606-A2 PIPERIDINES AND PIPERAZINES AS PLATELET AGGREGATION INHIBITORS J. URIACH & CIA. S.A. (ES) 1999-04-29 — — 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-20080064720-A1 2,6-Quinolinyl And 2,6-Naphthyl Derivatives, Processes For Preparing Them And Their Uses As Vla-4 Inhibitors VCAM1, HRH4, LTA4H CES1 960/4885SRC 4383/4885TAAR1 3188/4885
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 CES1 628/4885SRC 4357/4885TAAR1 4774/4885

“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.