SCHEMBL4552092

SCHEMBL4552092

Cc1ccccc1C(=O)C(CN)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.46
FEN1 P39748 1/20 0.46
HPGD P15428 5/20 0.43
MYC P01106 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
GAA P10253 1/20 0.41
GPR52 Q9Y2T5 1/20 0.40
TYK2 P29597 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL1878466 0.84 SLC6A2 (0.48) ERCC5FEN1HPGDMYCSLC6A2
SCHEMBL9830770 0.80 ERCC5 (0.41) ERCC5FEN1HPGDMYCSLC6A2
SCHEMBL16714061 0.78 HPGD (0.46) ERCC5FEN1HPGDMYCSLC6A2
SCHEMBL12984557 0.77 ALDH1A1 (0.42) ERCC5FEN1HPGDSLC6A2SLC6A4
SCHEMBL4811589 0.76 SLC6A2 (0.42) ERCC5FEN1HPGDSLC6A2SLC6A4
SCHEMBL819137 0.76 HPGD (0.47) ERCC5FEN1HPGDMYCSLC6A2
SCHEMBL8506427 0.75 MDM2 (0.59) HPGDKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL12984351 0.74 TSHR (0.41) ERCC5FEN1HPGDSLC6A2SLC6A4
SCHEMBL2233660 0.74 HPGD (0.48) ERCC5FEN1HPGDMYCSLC6A2
SCHEMBL29739981 0.74 MAPT (0.49) ERCC5FEN1HPGDMYCSLC6A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 ERCC5 3905/4885FEN1 4647/4885HPGD 2640/4885

“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.