Sugi Predict

Sugi Predict / Compounds / SCHEMBL3345719

SCHEMBL3345719

SCHEMBL3345719

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 3/20 0.43
▸ TSHR P16473 3/20 0.42
▸ TDP1 Q9NUW8 3/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ LMNA P02545 3/20 0.40
▸ CES2 O00748 2/20 0.40
▸ SRC P12931 1/20 0.40
▸ PGR P06401 1/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ ADRA2B P18089 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ MAPT P10636 4/20 0.38
▸ POLB P06746 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 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
SCHEMBL3349906 0.79 TDP1 (0.45) CES1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL8251886 0.77 TDP1 (0.47) CES1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL3349186 0.74 TDP1 (0.44) CES1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL30359455 0.74 MAPT (0.52) CES1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL3345510 0.74 CES1 (0.45) CES1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL27885704 0.73 CES1 (0.39) CES1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL16613084 0.73 CES1 (0.39) CES1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL2231539 0.73 TSHR (0.48) CES1TSHRTDP1L3MBTL1CYP3A4
Hydrochloric Acid SCHEMBL7470978 0.72 TSHR (0.47) CES1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL9622340 0.71 CES1 (0.42) CES1TSHRTDP1L3MBTL1CYP3A4

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 960/4885TSHR 3741/4885TDP1 4765/4885
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 628/4885TSHR 4180/4885TDP1 4364/4885

“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.