SCHEMBL566358

SCHEMBL566358

CCCOc1c(Cl)cc(C(=O)O)cc1Cl

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.70
TPMT P51580 1/20 0.53
HTT P42858 3/20 0.52
POLB P06746 2/20 0.52
ALOX15 P16050 1/20 0.52
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.48
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
PLA2G2A P14555 2/20 0.47
TTR P02766 1/20 0.47
LMNA P02545 3/20 0.45
GAA P10253 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 2/20 0.45
ABL1 P00519 1/20 0.45
RIN1 Q13671 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
FABP4 P15090 1/20 0.44

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
SCHEMBL1708361 0.91 PLAU (0.68) PLAUTPMTHTTPOLBALOX15
SCHEMBL15662309 0.90 PLAU (0.58) PLAUTPMTHTTPOLBALOX15
SCHEMBL9623323 0.89 PLAU (0.79) PLAUTPMTHTTPOLBALOX15
SCHEMBL12432454 0.88 PLA2G2A (0.64) PLAUPLA2G2A
SCHEMBL6557422 0.88 PLA2G2A (0.64) PLAUPLA2G2A
SCHEMBL1457769 0.85 PLAU (0.64) PLAUTPMTHTTPOLBALOX15
SCHEMBL15661352 0.85 POLB (0.53) PLAUTPMTHTTPOLBALOX15
SCHEMBL21854479 0.84 PLAU (0.72) PLAUTPMTHTTPOLBALOX15
SCHEMBL15662529 0.83 PLAU (0.49) PLAUTPMTHTTPOLBRAB9A
SCHEMBL5591733 0.82 PLAU (1.00) PLAUTPMTHTTPOLBALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9447028-B2 Therapeutic aryl-amido-aryl compounds and their use KING'S COLLEGE LONDON (GB) 2016-09-20 US disclosed
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use KING'S COLLEGE LONDON (GB) 2016-02-11 US disclosed
US-9181182-B2 S1P receptors modulators AKAAL PHARMA PTY LTD (AU) 2015-11-10 US disclosed
WO-2014063199-A1 ORGANIC COMPOUNDS AKAAL PHARMA PTY LTD (AU) 2014-05-01 WO disclosed
US-8329730-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-12-11 US disclosed
EP-2271643-B1 OXADIAZOLES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2012-08-15 EP disclosed
EP-2473479-A1 THERAPEUTIC ARYL-AM I DO-ARYL COMPOUNDS AND THEIR USE King's College London (GB) 2012-07-11 EP disclosed
US-20120149737-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use KING'S COLLEGE LONDON (GB) 2012-06-14 US disclosed
US-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 US disclosed
EP-2344446-A1 S1P RECEPTORS MODULATORS Akaal Pharma Pty Ltd (AU) 2011-07-20 EP disclosed
WO-2011027106-A1 THERAPEUTIC ARYL-AM I DO-ARYL COMPOUNDS AND THEIR USE KING'S COLLEGE LONDON (GB) 2011-03-10 WO disclosed
US-20110039889-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-02-17 US disclosed
EP-2271643-A1 COMPOUNDS Glaxo Group Limited (GB) 2011-01-12 EP disclosed
WO-2010042998-A1 S1P RECEPTORS MODULATORS AKAAL PHARMA PTY LTD (AU) 2010-04-22 WO disclosed
WO-2009133136-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-11-05 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 (4 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-20110039889-A1 COMPOUNDS CYP11B2, CYP11B1, GLS2 PLAU 3057/4885TPMT 123/4885HTT 1267/4885
US-20120149737-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG PLAU 4014/4885TPMT 2218/4885HTT 385/4885
US-20120034270-A1 S1P Receptors Modulators S1PR1, S1PR5, S1PR3 PLAU 3144/4885TPMT 2983/4885HTT 3688/4885
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG PLAU 4014/4885TPMT 2218/4885HTT 385/4885

“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.