SCHEMBL5856549

SCHEMBL5856549

COC(=O)CC(C)(C)CC(N)=S

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.37
HSD17B10 Q99714 2/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
TET2 Q6N021 1/20 0.33
LMNA P02545 2/20 0.32
KDM4E B2RXH2 2/20 0.32
CA12 O43570 2/20 0.32
CA14 Q9ULX7 2/20 0.32
RECQL P46063 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HTT P42858 1/20 0.31
HSP90AB1 P08238 1/20 0.31
SLC1A1 P43005 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL667630 0.84 TSHR (0.50) TSHRHSD17B10MGAMGAASI
SCHEMBL5856664 0.83 TSHR (0.40) TSHRHSD17B10MGAMGAASI
SCHEMBL5691969 0.76 KDM4E (0.54) TSHRHSD17B10MGAMGAASI
SCHEMBL11026137 0.76 MGAM (0.50) TSHRHSD17B10MGAMGAASI
SCHEMBL162441 0.76 KDM4E (0.48) TSHRHSD17B10MGAMGAASI
Hydrochloric Acid SCHEMBL16742457 0.74 KDM4E (0.58) TSHRHSD17B10MGAMGAASI
Hydrochloric Acid SCHEMBL7900820 0.74 KDM4E (0.52) TSHRHSD17B10MGAMGAASI
SCHEMBL12055303 0.74 TSHR (0.40) TSHRHSD17B10MGAMGAASI
SCHEMBL2526094 0.74 TSHR (0.40) TSHRHSD17B10MGAMGAASI
SCHEMBL130707 0.73 TSHR (0.43) TSHRHSD17B10MGAMGAASI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7119098-B2 Heteroarylakanoic acids as intergrin receptor antagonists PHARMACIA CORPORATION (US) 2006-10-10 US disclosed
US-6933304-B2 Heteroarylalkanoic acids as integrin receptor antagonists PHARMACIA CORPORATION (US) 2005-08-23 US disclosed
US-20040092497-A1 Heteroarylakanoic acids as intergrin receptor antagonists PHARMACIA CORPORATION 2004-05-13 US disclosed
EP-1289983-A2 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS Pharmacia Corporation (US) 2003-03-12 EP disclosed
US-20020133023-A1 Heteroarylalkanoic acids as integrin receptor antagonists PHARMACIA CORPORATION 2002-09-19 US disclosed
WO-2001096334-A2 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS PHARMACIA CORPORATION (US) 2001-12-20 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 (2 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-20020133023-A1 Heteroarylalkanoic acids as integrin receptor antagonists ITGA5, ITGA2B, ITGAV TSHR 781/4885HSD17B10 1734/4885MGAM 3494/4885
US-20040092497-A1 Heteroarylakanoic acids as intergrin receptor antagonists ITGA5, ITGB7, ITGA2B TSHR 580/4885HSD17B10 1402/4885MGAM 4212/4885

“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.