SCHEMBL286787

SCHEMBL286787

CC(C(=O)O)c1cccc(Br)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 2/20 0.43
PTGS1 P23219 8/20 0.42
LMNA P02545 2/20 0.42
CYP3A4 P08684 2/20 0.42
HPGD P15428 2/20 0.42
HIF1A Q16665 2/20 0.42
GABRA1 P14867 2/20 0.42
GABRB1 P18505 2/20 0.42
FAAH O00519 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CYP1A2 P05177 1/20 0.42
TSHR P16473 1/20 0.42
GABRG2 P18507 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2C P28335 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
HTR2B P41595 1/20 0.42

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
SCHEMBL31741597 0.87 GABRA1 (0.43) PTGS1LMNACYP3A4HPGDHIF1A
SCHEMBL8945731 0.83 CXCL8 (0.44) CXCL8PTGS1LMNACYP3A4HPGD
SCHEMBL4824347 0.82 HTT (0.49) CXCL8PTGS1LMNACYP3A4HPGD
SCHEMBL214223 0.82 HTT (0.49) CXCL8PTGS1LMNACYP3A4HPGD
SCHEMBL4825414 0.82 HTT (0.49) CXCL8PTGS1LMNACYP3A4HPGD
SCHEMBL490576 0.81 PTGS2 (0.47) CXCL8PTGS1LMNACYP3A4HPGD
SCHEMBL30967948 0.80 PTGS2 (0.44) CXCL8PTGS1LMNACYP3A4HPGD
SCHEMBL30997987 0.80 CXCL8 (0.49) CXCL8PTGS1LMNACYP3A4HPGD
SCHEMBL29237654 0.80 PTGS2 (0.44) CXCL8PTGS1LMNACYP3A4HPGD
SCHEMBL3290293 0.79 HPGD (0.50) CXCL8PTGS1LMNACYP3A4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673920-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2014-03-18 US disclosed
EP-2427444-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2012-03-14 EP disclosed
US-20100286123-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2010-11-11 US disclosed
CN-100554254-C Be used for synthesizing taxone pharmaceutical side-chain De oxazolidine compound and preparation method BEIJING NUORUI MEDICAL TECHNOL (CN) 2009-10-28 CN disclosed
CN-101033216-A Oxazolidine compound for synthesizing taxone pharmaceutical side-chain and preparation method thereof BEIJING NUORUI MEDICAL TECHNOL (CN) 2007-09-12 CN 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-20100286123-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 CXCL8 3003/4885PTGS1 1481/4885LMNA 1188/4885

“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.