SCHEMBL2054780

SCHEMBL2054780

CCCS(=O)(=O)c1ccc(C(CC2CCC2)NC(=O)c2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 14/20 0.44
POLB P06746 1/20 0.41
THRB P10828 1/20 0.41
RECQL P46063 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
FLT1 P17948 2/20 0.40
FLT4 P35916 2/20 0.40
KDR P35968 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
AVPR2 P30518 1/20 0.40
GPR27 Q9NS67 1/20 0.40

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
SCHEMBL2054722 0.96 SLC6A9 (0.47) SLC6A9POLBTHRBRECQLTDP1
SCHEMBL8249112 0.84 HSD17B1 (0.47) HSD17B1HSD17B2FLT1FLT4KDR
SCHEMBL2054752 0.83 SLC6A9 (0.46) SLC6A9POLBTHRBRECQLTDP1
SCHEMBL2054693 0.82 NPC1 (0.47) SLC6A9POLBTHRBRECQLTDP1
SCHEMBL2054755 0.82 HPGD (0.46) SLC6A9
SCHEMBL2054760 0.82 ALDH1A1 (0.44) SLC6A9POLBTHRBRECQLTDP1
SCHEMBL2054724 0.82 POLB (0.45) SLC6A9POLBTHRBRECQLTDP1
SCHEMBL2054756 0.79 SLC6A9 (0.41) SLC6A9
SCHEMBL2054759 0.79 MEN1 (0.48) SLC6A9THRB
SCHEMBL2097980 0.78 POLB (0.45) SLC6A9POLBTHRBRECQLTDP1

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-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
US-20090286765-A1 Therapeutic Agents MERCK SHARP & DOHME (UK) LIMITED (GB) 2009-11-19 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 (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 SLC6A9 112/4885POLB 4418/4885THRB 526/4885

“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.