Sugi Predict

Sugi Predict / Compounds / SCHEMBL3349207

SCHEMBL3349207

SCHEMBL3349207

NC(C(=O)O)(C(=O)c1ccccc1)C(Cl)Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 6/20 0.45
▸ TDP1 Q9NUW8 3/20 0.40
▸ TSHR P16473 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ POLB P06746 1/20 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
▸ HSD17B10 Q99714 1/20 0.40
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CES2 O00748 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ DAO P14920 1/20 0.38
▸ NAPRT Q6XQN6 1/20 0.38
▸ SRC P12931 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
SCHEMBL3345524 0.81 CES1 (0.50) CES1TDP1TSHRL3MBTL1CYP3A4
SCHEMBL3349927 0.81 CYP1A2 (0.52) CES1TDP1TSHRL3MBTL1CYP3A4
SCHEMBL27782841 0.79 PTGS2 (0.40) CES1TSHRMAPTCYP2C19CYP1A2
SCHEMBL9622340 0.78 CES1 (0.42) CES1TDP1TSHRL3MBTL1CYP3A4
SCHEMBL3345739 0.77 CES1 (0.46) CES1TDP1TSHRL3MBTL1CYP3A4
SCHEMBL9756273 0.75 CES1 (0.45) CES1TDP1TSHRL3MBTL1CYP3A4
SCHEMBL9561521 0.74 TSHR (0.47) CES1TDP1TSHRL3MBTL1CYP3A4
SCHEMBL669434 0.72 CES1 (0.58) CES1TDP1TSHRL3MBTL1CYP3A4
SCHEMBL3349191 0.72 CES1 (0.44) CES1TDP1TSHRL3MBTL1CYP3A4
SCHEMBL3349195 0.72 CES1 (0.44) CES1TDP1TSHRL3MBTL1CYP3A4

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 960/4885TDP1 4765/4885TSHR 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 628/4885TDP1 4364/4885TSHR 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.