SCHEMBL2899680

SCHEMBL2899680

COc1c(Br)cccc1C(C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.46
PTGS1 P23219 6/20 0.46
MMP2 P08253 2/20 0.41
MMP9 P14780 2/20 0.41
MMP8 P22894 2/20 0.41
MMP12 P39900 2/20 0.41
MMP13 P45452 2/20 0.41
MMP14 P50281 2/20 0.41
MMP16 P51512 2/20 0.41
MMP3 P08254 1/20 0.41
CXCL8 P10145 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
AKR1C3 P42330 2/20 0.37
AKR1C2 P52895 2/20 0.37
CDC42 P60953 1/20 0.37
RAC1 P63000 1/20 0.37
CYP1A2 P05177 1/20 0.37
TSHR P16473 1/20 0.37
SLC22A6 Q4U2R8 1/20 0.37

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
SCHEMBL27823919 0.88 CYP2C9 (0.38) PTGS2PTGS1KMT2AMEN1CYP1A2
SCHEMBL490689 0.81 PTGS1 (0.54) PTGS2PTGS1KMT2AMEN1AKR1C3
SCHEMBL28313768 0.81 PTGS2 (0.47) PTGS2PTGS1MMP2MMP9MMP8
SCHEMBL23526323 0.80 HTT (0.46) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL23526320 0.80 HTT (0.46) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL30014041 0.80 HTT (0.46) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL29731059 0.79 KMT2A (0.36) PTGS1KMT2AMEN1CYP1A2TSHR
SCHEMBL32681778 0.79 KMT2A (0.36) PTGS1KMT2AMEN1CYP1A2TSHR
SCHEMBL3065896 0.79 KMT2A (0.36) PTGS1KMT2AMEN1CYP1A2TSHR
SCHEMBL1680252 0.79 KMT2A (0.36) PTGS1KMT2AMEN1CYP1A2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9018211-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-04-28 US disclosed
US-20140142115-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2014-05-22 US disclosed
US-8673920-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2014-03-18 US disclosed
US-20100286123-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2010-11-11 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 (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-20140142115-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 PTGS2 2820/4885PTGS1 1481/4885MMP2 3420/4885
US-20100286123-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 PTGS2 2820/4885PTGS1 1481/4885MMP2 3420/4885

“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.