SCHEMBL721728

SCHEMBL721728

CSCCCCC(O)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.57
FFAR1 O14842 1/20 0.57
FOLH1 Q04609 2/20 0.48
RNPEP Q9H4A4 1/20 0.47
TET2 Q6N021 3/20 0.43
KDM4A O75164 2/20 0.43
KDM4C Q9H3R0 2/20 0.43
KDM2A Q9Y2K7 2/20 0.43
TET3 O43151 1/20 0.43
TBXAS1 P24557 2/20 0.38
OR51E2 Q9H255 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL2704316 0.93 FOLH1 (0.55) GPR84FFAR1FOLH1RNPEPTET2
Desmeninol SCHEMBL9331726 0.84
Desmeninol SCHEMBL167046 0.84
Desmeninol SCHEMBL3346262 0.84
Desmeninol SCHEMBL986705 0.82 RNPEP (0.56) GPR84FFAR1FOLH1RNPEPTET2
Desmeninol SCHEMBL1685412 0.82 RNPEP (0.56) GPR84FFAR1FOLH1RNPEPTET2
Desmeninol SCHEMBL28980028 0.82 RNPEP (0.56) GPR84FFAR1FOLH1RNPEPTET2
Desmeninol SCHEMBL4818040 0.82 RNPEP (0.56) GPR84FFAR1FOLH1RNPEPTET2
Desmeninol SCHEMBL1685417 0.82 RNPEP (0.56) GPR84FFAR1FOLH1RNPEPTET2
Desmeninol SCHEMBL4821623 0.82 RNPEP (0.56) GPR84FFAR1FOLH1RNPEPTET2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2609076-A1 PROCESS FOR PREPARING SULFUR-CONTAINING 2-KETOCARBOXYLATE COMPOUND Sumitomo Chemical Co., Ltd (JP) 2013-07-03 EP disclosed
EP-2609077-A1 PROCESS FOR PREPARING SULFUR-CONTAINING 2-KETOCARBOXYLATE COMPOUND Sumitomo Chemical Company Limited (JP) 2013-07-03 EP disclosed
US-20130137897-A1 PROCESS FOR PREPARING SULFUR-CONTAINING 2-KETOCARBOXYLATE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-05-30 US disclosed
US-20130137896-A1 PROCESS FOR PREPARING SULFUR-CONTAINING 2-KETOCARBOXYLATE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-05-30 US disclosed
WO-2012081712-A1 PROCESS FOR THE PREPARATION OF HYDROXYCARBOXYLIC ACID COMPOUND OR SALT THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-06-21 WO disclosed
US-8158186-B2 2-methylthioethyl-substituted heterocycles as feed additives EVONIK DEGUSSA GMBH (DE) 2012-04-17 US disclosed
WO-2012026620-A1 PROCESS FOR PREPARING SULFUR-CONTAINING 2-KETOCARBOXYLATE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-01 WO disclosed
WO-2012026619-A1 PROCESS FOR PREPARING SULFUR-CONTAINING 2-KETOCARBOXYLATE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-01 WO disclosed
US-20090162474-A1 2-METHYLTHIOETHYL-SUBSTITUTED HETEROCYCLES AS FEED ADDITIVES EVONIK DEGUSSA GMBH (DE) 2009-06-25 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 (3 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-20130137896-A1 PROCESS FOR PREPARING SULFUR-CONTAINING 2-KETOCARBOXYLATE COMPOUND HPD, STS, HACL2 GPR84 2845/4885FFAR1 3498/4885FOLH1 1683/4885
US-20130137897-A1 PROCESS FOR PREPARING SULFUR-CONTAINING 2-KETOCARBOXYLATE COMPOUND HPD, STS, HAO2 GPR84 3206/4885FFAR1 3082/4885FOLH1 2035/4885
US-20090162474-A1 2-METHYLTHIOETHYL-SUBSTITUTED HETEROCYCLES AS FEED ADDITIVES CCNL2, AKR7A2, AGXT GPR84 3145/4885FFAR1 2107/4885FOLH1 3679/4885

“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.