SCHEMBL4885847

SCHEMBL4885847

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

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 1/20 0.33
▸ GRM2 Q14416 1/20 0.33
▸ GRM3 Q14832 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ MMP8 P22894 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
SCHEMBL4885851 1.00 FPR2 (0.33) FPR2GRM2GRM3ALDH1A1TDP1
SCHEMBL14068708 0.70 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2
SCHEMBL13007119 0.70 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2
SCHEMBL9474155 0.69 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2MMP8
SCHEMBL301722 0.67 ACACB (0.40) FPR2GRM2GRM3ALDH1A1TDP1
Acetic Acid SCHEMBL28048717 0.67 ALDH1A1 (0.39) GRM2GRM3ALDH1A1TDP1GAA
SCHEMBL6058507 0.67 MMP8 (0.44) FPR2GRM2GRM3ALDH1A1TDP1
SCHEMBL16824156 0.67 GRM2 (0.38) FPR2GRM2GRM3ALDH1A1TDP1
SCHEMBL11337283 0.67 CYP2C19 (0.48) FPR2GRM2GRM3ALDH1A1TDP1
Hydrogen Peroxide SCHEMBL5147765 0.66 ALDH1A1 (0.38) FPR2GRM2GRM3ALDH1A1TDP1

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 7 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
CN-101675036-B Dual-effect benzimidazole antihypertensive agents THERAVANCE INC 2013-01-02 — — CN disclosed
EP-2162442-B1 DUAL-ACTING BENZOIMIDAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE INC (US) 2012-12-19 — — EP disclosed
CN-101675036-A Dual-effect benzimidazole antihypertensive agents THERAVANCE INC 2010-03-17 — — CN 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 FPR2 453/4885GRM2 2316/4885GRM3 595/4885

“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.

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