SCHEMBL4551685

SCHEMBL4551685

NC(Cc1ccccc1)C(Cl)(Cl)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.53
PKM P14618 1/20 0.53
PTGS1 P23219 1/20 0.53
XIAP P98170 1/20 0.53
SLC7A5 Q01650 1/20 0.53
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
MAPK1 P28482 1/20 0.51
EPHX1 P07099 2/20 0.49
SLC1A3 P43003 2/20 0.49
SLC1A2 P43004 2/20 0.49
SLC1A1 P43005 2/20 0.49
CYP1A2 P05177 1/20 0.47
SLC15A1 P46059 1/20 0.46
LAP3 P28838 3/20 0.46
CPA1 P15085 2/20 0.46
ANPEP P15144 1/20 0.46
CPB1 P15086 1/20 0.46
CPA3 P15088 1/20 0.46
CPB2 Q96IY4 1/20 0.46

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
SCHEMBL7038036 0.79 KDM4E (0.58) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL6533959 0.78 ALPI (0.53) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL16447715 0.78 ALPI (0.53) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL27481507 0.76 KDM4E (0.54) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL5675489 0.74 KDM4E (0.66) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL6863885 0.74 ALPI (0.49) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL541008 0.74 KDM4E (0.51) ALPIPKMPTGS1XIAPSLC7A5
Phenylalanine SCHEMBL9444191 0.73 SLC7A5 (0.88) ALPIPKMPTGS1XIAPSLC7A5
Dl-Phenylalanine SCHEMBL28051816 0.73 SLC7A5 (0.88) ALPIPKMPTGS1XIAPSLC7A5
Dl-Phenylalanine SCHEMBL9444188 0.73 SLC7A5 (0.88) ALPIPKMPTGS1XIAPSLC7A5

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
WO-2005030735-A1 TRIAZINES DERIVATIVES AS CELL ADHESION INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2005-04-07 WO claimed
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 ALPI 231/4885PKM 4391/4885PTGS1 1612/4885

“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.