SCHEMBL6530498

SCHEMBL6530498

C=CCC[C@@H](O)CC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.52
GPR84 Q9NQS5 4/20 0.45
GABRR1 P24046 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 3/20 0.40
ABCC4 O15439 1/20 0.40
MMP12 P39900 2/20 0.38
MMP13 P45452 2/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP14 P50281 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
BLM P54132 1/20 0.34
SLC6A3 Q01959 1/20 0.34
MEN1 O00255 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34

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
SCHEMBL4625236 1.00 SLC22A6 (0.52) SLC22A6GPR84GABRR1LMNAMAPT
SCHEMBL4747929 0.87 GPR84 (0.52) SLC22A6GPR84GABRR1LMNAMAPT
SCHEMBL668389 0.87 GPR84 (0.52) SLC22A6GPR84GABRR1LMNAMAPT
SCHEMBL4745007 0.85 GPR84 (0.55) SLC22A6GPR84GABRR1LMNAMAPT
SCHEMBL668069 0.85 GPR84 (0.55) SLC22A6GPR84GABRR1LMNAMAPT
SCHEMBL16245265 0.84 GPR84 (0.58) SLC22A6GPR84GABRR1LMNAMAPT
SCHEMBL1315935 0.84 GPR84 (0.58) SLC22A6GPR84GABRR1LMNAMAPT
SCHEMBL4624508 0.84 GPR84 (0.58) SLC22A6GPR84GABRR1LMNAMAPT
SCHEMBL666191 0.84 GPR84 (0.58) SLC22A6GPR84GABRR1LMNAMAPT
SCHEMBL9781733 0.84 GPR84 (0.58) SLC22A6GPR84GABRR1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649076-B1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES INC (US) 2015-03-04 EP disclosed
EP-2649076-B1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES INC (US) 2015-03-04 EP disclosed
US-8933015-B2 Macrocyclic inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2015-01-13 US disclosed
US-20140023616-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES SELCIA LIMITED (GB) 2014-01-23 US disclosed
US-20140023616-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES SELCIA LIMITED (GB) 2014-01-23 US disclosed
US-20140023616-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES SELCIA LIMITED (GB) 2014-01-23 US disclosed
EP-2649076-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES Gilead Sciences, Inc. (US) 2013-10-16 EP disclosed
US-8513184-B2 Macrocyclic inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
US-8513184-B2 Macrocyclic inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
US-8513184-B2 Macrocyclic inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
US-20130022573-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES SELCIA LIMITED (GB) 2013-01-24 US disclosed
US-20130022573-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES SELCIA LIMITED (GB) 2013-01-24 US disclosed
US-20130022573-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES SELCIA LIMITED (GB) 2013-01-24 US disclosed
WO-2012078915-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2012-06-14 WO disclosed
WO-2012078915-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2012-06-14 WO disclosed
US-20050069995-A1 (R)-hydroxycarboxylic acid producing recombinant microorganism and process for preparing (r)-hydroxycarboxylic acid using the same KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2005-03-31 US disclosed
US-20030143703-A1 Recombinant microorganism expressing polyhydroxyalkanoate biosynthesis enzyme and intracellular PHA depolymerase KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2003-07-31 US disclosed
WO-2003046159-A1 (R)-HYDROXYCARBOXYLIC ACID PRODUCING RECOMBINANT MICROORGANISM AND PROCESS FOR PREPARING (R)-HYDROXYCARBOXYLIC ACID USING THE SAME KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2003-06-05 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 (2 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-20140023616-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, ZC3HAV1, CYP2F1 SLC22A6 1173/4885GPR84 4294/4885GABRR1 3944/4885
US-20130022573-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, ZC3HAV1, CYP2F1 SLC22A6 1173/4885GPR84 4294/4885GABRR1 3944/4885

“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.