Sugi Predict

Sugi Predict / Compounds / SCHEMBL840649

SCHEMBL840649

SCHEMBL840649

CCCC(=O)N(CCC(=O)N(CCS)Cc1cccc(Cl)c1)Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)C(C)O)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 2/20 0.38
▸ AGTR2 P50052 2/20 0.38
▸ LIMK2 P53671 2/20 0.37
▸ LIMK1 P53667 1/20 0.37
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ RORC P51449 1/20 0.33
▸ SLC2A1 P11166 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ PTGES O14684 1/20 0.33
▸ PSEN1 P49768 1/20 0.32
▸ PSEN2 P49810 1/20 0.32
▸ APH1B Q8WW43 1/20 0.32
▸ NCSTN Q92542 1/20 0.32
▸ APH1A Q96BI3 1/20 0.32
▸ PSENEN Q9NZ42 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ LTB4R2 Q9NPC1 1/20 0.32

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
SCHEMBL840247 0.95 AGTR2 (0.40) AGTR1AGTR2LIMK2LIMK1PSEN1
SCHEMBL840356 0.92 AGTR2 (0.44) AGTR1AGTR2LIMK2LIMK1LTB4R2
SCHEMBL840424 0.91 LIMK2 (0.39) AGTR1AGTR2LIMK2LIMK1LMNA
SCHEMBL841111 0.89 AGTR1 (0.38) AGTR1AGTR2RORCPSEN1PSEN2
SCHEMBL838700 0.88 AGTR1 (0.36) AGTR1AGTR2LIMK2LIMK1MEN1
SCHEMBL838701 0.88 AGTR1 (0.36) AGTR1AGTR2LIMK2LIMK1MEN1
SCHEMBL840647 0.88 AGTR1 (0.36) AGTR1AGTR2LIMK2LIMK1MEN1
SCHEMBL840648 0.88 AGTR1 (0.36) AGTR1AGTR2LIMK2LIMK1MEN1
SCHEMBL2968095 0.86 AGTR2 (0.41) AGTR1AGTR2LIMK2ALDH1A1
SCHEMBL841750 0.85 AGTR1 (0.41) AGTR1AGTR2LIMK2LIMK1RORC

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-8735625-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2014-05-27 — — US disclosed
US-20140046075-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2014-02-13 — — US disclosed
US-8394846-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2013-03-12 — — US disclosed
US-20120129900-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2012-05-24 — — US disclosed
US-8143298-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2012-03-27 — — US disclosed
US-7777077-B2 2-Mercaptomethyl-4-methylpentanoic Acid (2-Butyryl-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]aminoethyl)amide THERAVANCE, INC. (US) 2010-08-17 — — US disclosed
US-20080188533-A1 2-Mercaptomethyl-4-methylpentanoic Acid (2-Butyryl-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]aminoethyl)amide THERAVANCE BIOPHARMA R&D IP, LLC 2008-08-07 — — 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-20140046075-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 AGTR1 1/4885AGTR2 3/4885LIMK2 3384/4885
US-20080188533-A1 2-Mercaptomethyl-4-methylpentanoic Acid (2-Butyryl-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]aminoethyl)amide MME, AGTR1, AGTR2 AGTR1 2/4885AGTR2 3/4885LIMK2 3804/4885
US-20120129900-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 AGTR1 1/4885AGTR2 3/4885LIMK2 3384/4885

“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.