SCHEMBL2355705

SCHEMBL2355705

COc1cc(OCCBr)ccc1OC(C)=O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
PTGS1 P23219 1/20 0.49
NR3C1 P04150 1/20 0.48
JUN P05412 1/20 0.47
NFKB1 P19838 1/20 0.47
VCP P55072 1/20 0.46
TNFSF11 O14788 1/20 0.45
BACE1 P56817 1/20 0.44
DRD3 P35462 1/20 0.43
ALDH1A1 P00352 3/20 0.42
PKM P14618 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
HCRTR2 O43614 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
SCHEMBL2350266 0.87 BACE1 (0.53) TSHRPTGS1NR3C1JUNNFKB1
SCHEMBL5676564 0.84 CA2 (0.57) DRD3ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL31252794 0.84 CA2 (0.57) DRD3ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL178917 0.82 KDM4E (0.53) TSHRPTGS1TNFSF11BACE1ALDH1A1
SCHEMBL178904 0.81 KDM4E (0.51) TSHRPTGS1BACE1ALDH1A1PKM
SCHEMBL2729632 0.81 TSHR (0.64) TSHRPTGS1NR3C1JUNNFKB1
SCHEMBL3328971 0.81 TSHR (0.64) TSHRPTGS1NR3C1JUNNFKB1
SCHEMBL19712578 0.77 MAOB (0.55) TSHRPTGS1ALDH1A1NPC1RAB9A
SCHEMBL2651293 0.76 ALDH1A1 (0.65) TSHRALDH1A1KDM4E
SCHEMBL153056 0.76 CA12 (0.59) TSHRNR3C1JUNNFKB1TNFSF11

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
EP-2348859-B1 PRODRUGS OF OXAZOLIDINONE CETP INHIBITORS MERCK SHARP & DOHME (US) 2013-12-04 EP disclosed
US-8354454-B2 Prodrugs of oxazolidinone CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2013-01-15 US disclosed
US-20110218177-A1 PRODRUGS OF OXAZOLIDINONE CETP INHIBITORS MERCK SHARP & DOHME LLC 2011-09-08 US disclosed
EP-2348859-A1 PRODRUGS OF OXAZOLIDINONE CETP INHIBITORS Merck Sharp & Dohme Corp. (US) 2011-08-03 EP disclosed
WO-2010039474-A1 PRODRUGS OF OXAZOLIDINONE CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-04-08 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-20110218177-A1 PRODRUGS OF OXAZOLIDINONE CETP INHIBITORS CETP, SLCO2B1, OXA1L TSHR 3227/4885PTGS1 2136/4885NR3C1 810/4885

“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.