SCHEMBL3345476

SCHEMBL3345476

Cc1ccccc1C(=O)C(C)(N)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.44
MYC P01106 1/20 0.44
ERCC5 P28715 1/20 0.43
FEN1 P39748 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 1/20 0.40
ELANE P08246 1/20 0.40
TYK2 P29597 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ENPP3 O14638 1/20 0.39
ALPL P05186 1/20 0.39
XIAP P98170 1/20 0.39
BCHE P06276 1/20 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
SCHEMBL3349920 0.86 NPC1 (0.42) HPGDMYCNPC1RAB9AKDM4E
SCHEMBL3349740 0.81 HPGD (0.50) HPGDNPC1RAB9AKDM4EALDH1A1
SCHEMBL22468835 0.81 MAPT (0.48) HPGDNPC1RAB9AKDM4EALDH1A1
SCHEMBL4878726 0.80 ALDH1A1 (0.52) HPGDERCC5FEN1NPC1RAB9A
SCHEMBL3344479 0.80 NPC1 (0.38) HPGDMYCERCC5FEN1NPC1
SCHEMBL697168 0.79 HPGD (0.48) HPGDMYCERCC5FEN1NPC1
SCHEMBL29424792 0.79 HPGD (0.48) HPGDMYCERCC5FEN1NPC1
SCHEMBL30281296 0.79 HPGD (0.48) HPGDMYCERCC5FEN1NPC1
SCHEMBL29792964 0.79 HPGD (0.48) HPGDMYCERCC5FEN1NPC1
SCHEMBL7949878 0.78 HPGD (0.47) HPGDMYCERCC5FEN1KDM4E

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 HPGD 2640/4885MYC 2309/4885ERCC5 3905/4885
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 HPGD 2496/4885MYC 2054/4885ERCC5 4453/4885

“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.