Sugi Predict

Sugi Predict / Compounds / SCHEMBL3349186

SCHEMBL3349186

SCHEMBL3349186

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ CES1 P23141 4/20 0.42
▸ CES2 O00748 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ TSHR P16473 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ MDM2 Q00987 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ PARP1 P09874 1/20 0.40
▸ MAPT P10636 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
▸ GAA P10253 2/20 0.40
▸ ATM Q13315 2/20 0.40
▸ NPC1 O15118 1/20 0.40

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 0.78 TDP1 (0.45) TDP1L3MBTL1CES1CES2LMNA
SCHEMBL3345510 0.77 CES1 (0.45) TDP1L3MBTL1CES1CES2LMNA
SCHEMBL8251886 0.76 TDP1 (0.47) TDP1L3MBTL1CES1CES2LMNA
SCHEMBL9622340 0.74 CES1 (0.42) TDP1L3MBTL1CES1CES2LMNA
SCHEMBL3345719 0.74 CES1 (0.43) TDP1L3MBTL1CES1CES2LMNA
SCHEMBL30359455 0.73 MAPT (0.52) TDP1L3MBTL1CES1CES2LMNA
SCHEMBL2004665 0.73 TDP1 (0.52) TDP1L3MBTL1CES1CES2LMNA
SCHEMBL9450434 0.72 TDP1 (0.56) TDP1L3MBTL1CES1CES2LMNA
SCHEMBL3751620 0.72 TDP1 (0.56) TDP1L3MBTL1CES1CES2LMNA
Hydrochloric Acid SCHEMBL27596223 0.71 TDP1 (0.50) TDP1L3MBTL1CES1CES2LMNA

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 TDP1 4765/4885L3MBTL1 4844/4885CES1 960/4885
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 TDP1 4364/4885L3MBTL1 4720/4885CES1 628/4885

“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.