SCHEMBL2097980

SCHEMBL2097980

CCCS(=O)(=O)c1ccc(C(C=O)NC(=O)c2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
THRB P10828 1/20 0.45
RECQL P46063 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
FLT1 P17948 12/20 0.44
FLT4 P35916 12/20 0.44
KDR P35968 12/20 0.44
AVPR2 P30518 1/20 0.44
GPR27 Q9NS67 1/20 0.44
SLC6A9 P48067 2/20 0.44
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL2097462 0.91 POLB (0.44) POLBTHRBRECQLTDP1L3MBTL1
SCHEMBL2054704 0.83 FLT1 (0.47) POLBTHRBRECQLTDP1L3MBTL1
SCHEMBL2054724 0.82 POLB (0.45) POLBTHRBRECQLTDP1L3MBTL1
SCHEMBL2054693 0.81 NPC1 (0.47) POLBTHRBRECQLTDP1L3MBTL1
SCHEMBL2095829 0.81 POLB (0.44) POLBTHRBRECQLTDP1L3MBTL1
SCHEMBL2054760 0.81 ALDH1A1 (0.44) POLBTHRBRECQLTDP1L3MBTL1
SCHEMBL2054722 0.80 SLC6A9 (0.47) POLBTHRBRECQLTDP1L3MBTL1
SCHEMBL2054780 0.78 SLC6A9 (0.44) POLBTHRBRECQLTDP1L3MBTL1
SCHEMBL2054752 0.78 SLC6A9 (0.46) POLBTHRBRECQLTDP1L3MBTL1
SCHEMBL2054755 0.77 HPGD (0.46) SLC6A9MEN1KMT2A

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-1899294-B1 THERAPEUTIC AGENTS MERCK SHARP & DOHME (GB) 2015-03-18 EP disclosed
US-8163956-B2 Inhibitors of GLYT1 transporters MERCK SHARP & DOHME CORP. (US) 2012-04-24 US disclosed
US-20090286765-A1 Therapeutic Agents MERCK SHARP & DOHME (UK) LIMITED (GB) 2009-11-19 US disclosed
EP-1899294-A1 THERAPEUTIC AGENTS Merck Sharp & Dohme Limited (GB) 2008-03-19 EP disclosed
WO-2006134341-A1 THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 2006-12-21 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-20090286765-A1 Therapeutic Agents GRIA1, GRIN1, GLRA1 POLB 4418/4885THRB 526/4885RECQL 2256/4885

“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.