SCHEMBL4885843

SCHEMBL4885843

CCC(C)CC(SC(C)=O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
POLB P06746 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RNPEP Q9H4A4 1/20 0.30
SLC7A5 Q01650 1/20 0.30
TSHR P16473 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
SCHEMBL6894525 0.83 HTT (0.47) HTTSLC1A3SLC1A2SLC1A1POLB
SCHEMBL4457494 0.83 HTT (0.47) HTTSLC1A3SLC1A2SLC1A1POLB
SCHEMBL489096 0.81 RNPEP (0.43) SLC1A3SLC1A2ALDH1A1RNPEPSLC7A5
SCHEMBL1258031 0.81 RNPEP (0.43) SLC1A3SLC1A2ALDH1A1RNPEPSLC7A5
SCHEMBL489097 0.81 RNPEP (0.43) SLC1A3SLC1A2ALDH1A1RNPEPSLC7A5
SCHEMBL9985082 0.73 CA2 (0.43) SLC1A3SLC1A2SLC1A1ALDH1A1TSHR
SCHEMBL6889610 0.72 CHRM1 (0.46) HTTSLC1A3SLC1A2SLC1A1TSHR
SCHEMBL6889603 0.72 CHRM1 (0.46) HTTSLC1A3SLC1A2SLC1A1TSHR
SCHEMBL8883842 0.71 ALDH1A1 (0.37) HTTALDH1A1TSHR
SCHEMBL8692002 0.71 ALDH1A1 (0.37) HTTALDH1A1TSHR

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
US-8637676-B2 Dual-acting benzoimidazole antihypertensive agents THERAVANCE, INC. (US) 2014-01-28 US disclosed
EP-2162442-B1 DUAL-ACTING BENZOIMIDAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE INC (US) 2012-12-19 EP disclosed
US-20080318951-A1 Dual-acting benzoimidazole antihypertensive agents THERAVANCE, INC. 2008-12-25 US disclosed
CN-1044249-C Matrix metalloprotease inhibitors SYNTEX INC (US) 1999-07-21 CN disclosed
CN-1134153-A Matrix metalloprotease inhibitors SYNTEX INC (US) 1996-10-23 CN 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-20080318951-A1 Dual-acting benzoimidazole antihypertensive agents AGTR1, REN, AGTR2 HTT 1712/4885SLC1A3 2380/4885SLC1A2 2877/4885

“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.