SCHEMBL2335458

SCHEMBL2335458

CCOC(=O)CC(=O)COc1cccc(Cl)c1C

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.50
MAPT P10636 3/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
HTT P42858 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MRGPRX4 Q96LA9 1/20 0.46
USP2 O75604 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GLA P06280 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 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
SCHEMBL12290718 0.80 DDB1 (0.53) MAPTLMNAPOLBHTTALDH1A1
SCHEMBL1613772 0.80 MRGPRX4 (0.48) NLRP3MAPTLMNAPOLBHTT
SCHEMBL23116827 0.78 SMN1; SMN2 (0.57) MAPTLMNAPOLBHTTALDH1A1
SCHEMBL8082754 0.78 L3MBTL1 (0.53) MAPTLMNAPOLBALDH1A1MRGPRX4
SCHEMBL12098577 0.78 TDP1 (0.60) MAPTLMNAALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL1887192 0.77 KMT2A (0.61) POLBALDH1A1MRGPRX4L3MBTL1GLA
SCHEMBL27352387 0.77 NLRP3 (0.55) NLRP3MAPTLMNAPOLBALDH1A1
SCHEMBL2011265 0.76 USP2 (0.58) NLRP3MAPTLMNAHTTALDH1A1
SCHEMBL12290695 0.76 HTT (0.47) NLRP3MAPTLMNAPOLBHTT
SCHEMBL11305630 0.75 NLRP3 (0.52) NLRP3MAPTLMNAPOLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2358716-B1 INHIBITORS OF FATTY ACID BINDING PROTEIN (FABP) MERCK SHARP & DOHME (US) 2016-01-06 EP disclosed
EP-2358716-B1 INHIBITORS OF FATTY ACID BINDING PROTEIN (FABP) MERCK SHARP & DOHME (US) 2016-01-06 EP disclosed
US-8815875-B2 Inhibitors of fatty acid binding protein (FABP) MERCK SHARP & DOHME CORP. (US) 2014-08-26 US disclosed
US-8815875-B2 Inhibitors of fatty acid binding protein (FABP) MERCK SHARP & DOHME CORP. (US) 2014-08-26 US disclosed
US-8815875-B2 Inhibitors of fatty acid binding protein (FABP) MERCK SHARP & DOHME CORP. (US) 2014-08-26 US disclosed
US-20110237575-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN (FABP) MERCK SHARP & DOHME LLC 2011-09-29 US disclosed
US-20110237575-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN (FABP) MERCK SHARP & DOHME LLC 2011-09-29 US disclosed
US-20110237575-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN (FABP) MERCK SHARP & DOHME LLC 2011-09-29 US disclosed
EP-2358716-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN (FABP) Schering Corporation (US) 2011-08-24 EP disclosed
WO-2010056631-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN (FABP) SCHERING CORPORATION (US) 2010-05-20 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 (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-20110237575-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN (FABP) FABP4, FABP1, FABP3 NLRP3 2129/4885MAPT 2120/4885LMNA 2616/4885

“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.