SCHEMBL2728447

SCHEMBL2728447

N#Cc1cccc(CC(O)CO)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.49
GLA P06280 1/20 0.46
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
MEP1A Q16819 1/20 0.42
MEP1B Q16820 1/20 0.42
DPP4 P27487 2/20 0.41
DPP7 Q9UHL4 2/20 0.41
FAP Q12884 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
MMP12 P39900 1/20 0.41
MMP13 P45452 1/20 0.41
PIN1 Q13526 1/20 0.41
ENPP2 Q13822 1/20 0.41

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
SCHEMBL14860190 0.81 DPP7 (0.52) FOLH1GLASLC6A2SLC6A4MEP1A
SCHEMBL18930742 0.81 DPP7 (0.52) FOLH1GLASLC6A2SLC6A4MEP1A
SCHEMBL28046794 0.81 GLA (0.55) FOLH1GLASLC6A2SLC6A4MEP1A
SCHEMBL22395447 0.81 FOLH1 (0.50) FOLH1GLASLC6A2SLC6A4MEP1A
SCHEMBL10606037 0.81 FOLH1 (0.50) FOLH1GLASLC6A2SLC6A4MEP1A
Hydrochloric Acid SCHEMBL21144734 0.80 DPP7 (0.51) FOLH1GLASLC6A2SLC6A4MEP1A
Hydrochloric Acid SCHEMBL21144735 0.80 DPP7 (0.51) FOLH1GLASLC6A2SLC6A4MEP1A
SCHEMBL29478750 0.77 GLA (0.50) FOLH1GLAMEP1AMEP1BCYP19A1
SCHEMBL92972 0.77 GLA (0.50) FOLH1GLAMEP1AMEP1BCYP19A1
SCHEMBL407703 0.77 SLC6A2 (0.45) FOLH1GLASLC6A2SLC6A4MEP1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9056859-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-06-16 US disclosed
EP-2632464-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2015-04-29 EP disclosed
EP-2632464-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2013-09-04 EP disclosed
US-20130217680-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME LLC 2013-08-22 US disclosed
WO-2012058134-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2012-05-03 WO disclosed
EP-0201823-B1 NOVEL INTERMEDIATES FOR THE PRODUCTION OF PHARMACEUTICALS LILLY INDUSTRIES LIMITED (GB) 1990-12-05 EP disclosed
US-4963578-A LEUKOTRIN ANTAGONISTS; ANTIALLERGENS LILLY INDUSTRIES LIMITED (GB) 1990-10-16 US disclosed
US-RE33300-E LEUKOTRIENE ANTAGONISTS; ANTIALLERGENS ELI LILLY AND COMPANY (US) 1990-08-14 US disclosed
EP-0134111-B1 ARALIPHATIC SULPHIDES,SULPHONES AND SULPHOXIDES AND THEIR PHARMACEUTICAL USE Lilly Industries Limited (GB) 1988-12-07 EP disclosed
US-4665189-A LEUKOTRIENE ANTAGONISTS LILLY INDUSTRIES LIMITED (GB) 1987-05-12 US disclosed
EP-0201823-A2 Novel intermediates for the production of pharmaceuticals LILLY INDUSTRIES LIMITED (GB) 1986-11-20 EP disclosed
EP-0134111-A1 Araliphatic sulphides,sulphones and sulphoxides and their pharmaceutical use Lilly Industries Limited (GB) 1985-03-13 EP 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-20130217680-A1 Inhibitors of the Renal Outer Medullary Potassium Channel KCNJ11, KCNJ1, KCNJ2 FOLH1 4636/4885GLA 4494/4885SLC6A2 249/4885

“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.