Sugi Predict

Sugi Predict / Compounds / SCHEMBL3345730

SCHEMBL3345730

SCHEMBL3345730

COC(C(=O)O)C(N)(OC)C(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 3/20 0.47
▸ SRC P12931 1/20 0.44
▸ TSHR P16473 4/20 0.39
▸ EDNRB P24530 6/20 0.36
▸ EDNRA P25101 6/20 0.36
▸ POLB P06746 2/20 0.36
▸ NR1I2 O75469 1/20 0.36
▸ KCNE1 P15382 1/20 0.36
▸ KCNQ1 P51787 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CES2 O00748 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ PPARD Q03181 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ HSD17B10 Q99714 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ MAPT P10636 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
SCHEMBL27682266 0.79 CES1 (0.50) CES1SRCTSHREDNRBEDNRA
SCHEMBL29872274 0.79 CES1 (0.49) CES1SRCTSHREDNRBEDNRA
SCHEMBL31351506 0.79 CES1 (0.49) CES1SRCTSHREDNRBEDNRA
SCHEMBL27782923 0.73 CES1 (0.58) CES1SRCTSHRPOLBCES2
SCHEMBL3345739 0.70 CES1 (0.46) CES1SRCTSHRPOLBCES2
SCHEMBL62160 0.69 CES1 (0.62) CES1SRCTSHRPOLBCES2
SCHEMBL28491178 0.69 CES1 (0.62) CES1SRCTSHRPOLBCES2
SCHEMBL2150284 0.69 CES1 (0.62) CES1SRCTSHRPOLBCES2
SCHEMBL9756273 0.69 CES1 (0.45) CES1SRCTSHRPOLBCES2
SCHEMBL10800215 0.68 CES1 (0.67) CES1SRCTSHRPOLBCES2

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 CES1 960/4885SRC 4383/4885TSHR 3741/4885
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 4357/4885TSHR 4180/4885

“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.