Sulfuric Acid

Sulfuric Acid

SCHEMBL7107439

N=C(N)NCCC[C@@H](C=O)NC(=O)[C@@H]1CCCN1C(=O)C1NCCc2ccccc21.O=S(=O)(O)O

nearest known ligand 0.73

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Sulfuric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 known ✓ P35372 1/20 0.33
F2 P00734 14/20 0.73
PLG P00747 6/20 0.73
F10 P00742 3/20 0.73
PRSS1 P07477 3/20 0.73
PLAT P00750 2/20 0.42

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
SCHEMBL7102702 0.86 F2 (0.60) F2PLGF10PRSS1
SCHEMBL27414923 0.85 F2 (0.59) F2PLGF10PRSS1OPRM1
Sulfuric Acid SCHEMBL7264620 0.77 F2 (0.54) F2PLGOPRM1
SCHEMBL7393620 0.77 PLG (0.53) F2PLGF10PRSS1PLAT
Hydrochloric Acid SCHEMBL7399028 0.76 PLG (0.53) F2PLGF10PRSS1PLAT
Hydrochloric Acid SCHEMBL7294997 0.76 F2 (0.53) F2PLGF10PRSS1PLAT
SCHEMBL7391431 0.76 PLG (0.55) F2PLGF10PRSS1PLAT
Hydrochloric Acid SCHEMBL7395370 0.76 PLG (0.54) F2PLGF10PRSS1PLAT
Efegatran SCHEMBL7273879 0.76 F2 (0.56) F2PLGF10PRSS1OPRM1
Efegatran SCHEMBL564291 0.76 F2 (0.56) F2PLGF10PRSS1OPRM1

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
EP-0479489-B1 Tripeptide antithrombotic agents LILLY CO ELI (US) 2003-03-19 EP disclosed
EP-0837071-A1 Tripeptide antithrombotic agents ELI LILLY AND COMPANY (US) 1998-04-22 EP disclosed
EP-0685489-A2 Tripeptide antithrombotic agents ELI LILLY AND COMPANY (US) 1995-12-06 EP disclosed
EP-0684258-A2 Tripeptide antithrombotic agents ELI LILLY AND COMPANY (US) 1995-11-29 EP disclosed
US-5430023-A Tripeptide antithrombotic agents ELI LILLY AND COMPANY (US) 1995-07-04 US disclosed
EP-0479489-A2 Tripeptide antithrombotic agents ELI LILLY AND COMPANY (US) 1992-04-08 EP disclosed