SCHEMBL4551689

SCHEMBL4551689

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.58
HIF1A Q16665 1/20 0.58
SLC6A2 P23975 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
ARG1 P05089 1/20 0.43
ARG2 P78540 1/20 0.43
AKR1B1 P15121 1/20 0.42
ALPI P09923 1/20 0.40
PKM P14618 1/20 0.40
PTGS1 P23219 1/20 0.40
XIAP P98170 1/20 0.40
SLC7A5 Q01650 1/20 0.40
KIF11 P52732 2/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
BLM P54132 1/20 0.40
FDPS P14324 1/20 0.39
CYP1A2 P05177 5/20 0.38
CYP2C19 P33261 3/20 0.38
CYP2C9 P11712 2/20 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
SCHEMBL27962346 0.86 SMN1; SMN2 (0.55) SMN1; SMN2HIF1ASLC6A2TAAR1ARG1
SCHEMBL1274883 0.81 SMN1; SMN2 (0.58) SMN1; SMN2HIF1ASLC6A2TAAR1ARG1
SCHEMBL28136599 0.81 SMN1; SMN2 (0.58) SMN1; SMN2HIF1ASLC6A2TAAR1ARG1
SCHEMBL11265928 0.81 SMN1; SMN2 (0.58) SMN1; SMN2HIF1ASLC6A2TAAR1ARG1
SCHEMBL6981342 0.81 SMN1; SMN2 (0.58) SMN1; SMN2HIF1ASLC6A2TAAR1ARG1
SCHEMBL1274884 0.81 SMN1; SMN2 (0.58) SMN1; SMN2HIF1ASLC6A2TAAR1ARG1
Hydrochloric Acid SCHEMBL17262536 0.80 SMN1; SMN2 (0.56) SMN1; SMN2HIF1ASLC6A2TAAR1ARG1
SCHEMBL7653149 0.80 SMN1; SMN2 (0.56) SMN1; SMN2HIF1ASLC6A2TAAR1ARG1
SCHEMBL28189016 0.80 SMN1; SMN2 (0.56) SMN1; SMN2HIF1ASLC6A2TAAR1ARG1
SCHEMBL28189019 0.80 SMN1; SMN2 (0.56) SMN1; SMN2HIF1ASLC6A2TAAR1ARG1

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 SMN1; SMN2 4507/4885HIF1A 2406/4885SLC6A2 2716/4885

“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.