SCHEMBL1161597

SCHEMBL1161597

CCCCOC(=O)NCCC(=O)O

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.65
EPHX2 P34913 2/20 0.60
PLA2G2A P14555 1/20 0.50

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
Hydrochloric Acid SCHEMBL10476067 0.98 ACHE (0.62) ACHEEPHX2PLA2G2A
SCHEMBL7168074 0.93 ACHE (0.71) ACHEEPHX2PLA2G2A
SCHEMBL7168064 0.93 ACHE (0.71) ACHEEPHX2PLA2G2A
SCHEMBL480293 0.91 ACHE (0.68) ACHEEPHX2
SCHEMBL3655324 0.89 EPHX2 (0.74) ACHEEPHX2PLA2G2A
SCHEMBL19400387 0.88 EPHX2 (0.76) ACHEEPHX2PLA2G2A
SCHEMBL19400363 0.88 EPHX2 (0.76) ACHEEPHX2PLA2G2A
SCHEMBL19400357 0.88 EPHX2 (0.76) ACHEEPHX2PLA2G2A
SCHEMBL3629434 0.88 EPHX2 (0.76) ACHEEPHX2PLA2G2A
SCHEMBL19400416 0.88 EPHX2 (0.76) ACHEEPHX2PLA2G2A

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 119 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791129-B2 Phenylquinazoline derivatives MERCK PATENT GMBH (DE) 2014-07-29 US claimed
US-20130178443-A1 PHENYLQUINAZOLINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-07-11 US claimed
EP-1307226-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS Bristol-Myers Squibb Pharma Company (US) 2003-05-07 EP claimed
WO-2001097848-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-12-27 WO claimed
EP-0944619-A1 NOVEL INTEGRIN RECEPTOR ANTAGONISTS Du Pont Pharmaceuticals Company (US) 1999-09-29 EP claimed
WO-1998023608-A1 NOVEL INTEGRIN RECEPTOR ANTAGONISTS DUPONT PHARMACEUTICALS COMPANY (US) 1998-06-04 WO claimed
EP-0828737-A1 ISOXAZOLINE AND ISOXAZOLE DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-03-18 EP claimed
WO-1996037492-A1 ISOXAZOLINE AND ISOXAZOLE DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-11-28 WO claimed
WO-2024043313-A1 REVERSIBLE THERMOCHROMIC COMPOSITION, MICROENCAPSULATED PIGMENT USING SAID REVERSIBLE THERMOCHROMIC COMPOSITION, WRITING TOOL, AND TOY 三菱ケミカル株式会社 2024-02-29 WO disclosed
US-20210061813-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2021-03-04 US disclosed
WO-2020252713-A1 MODIFIED HYDROPHOBIC AUXILIARY MATERIAL, PREPARATION METHOD THEREFOR AND USE THEREOF 浙江智达药业有限公司 2020-12-24 WO disclosed
WO-2019147182-A1 ANTIATHEROSCLEROTIC AGENTS MEDSCIENTA AB (SE) 2019-08-01 WO disclosed
US-RE47221-E1 Tricyclic compounds ABBVIE INC. (US) 2019-02-05 US disclosed
US-10172830-B2 Pyrazolone compounds having human neutrophil elastase inhibitory properties CHIESI FARMACEUTICI S.P.A. (IT) 2019-01-08 US disclosed
EP-0741715-A1 NOVEL HUMAN LEUKOCYTE ELASTASE (HLE) INHIBITORS, AND RELATED PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE SRI INTERNATIONAL (US) 1996-11-13 EP disclosed
WO-1995020581-A1 NOVEL HUMAN LEUKOCYTE ELASTASE (HLE) INHIBITORS, AND RELATED PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE SRI INTERNATIONAL (US) 1995-08-03 WO disclosed
EP-0629196-A1 HETEROCYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK SHARP & DOHME LTD. (GB) 1994-12-21 EP disclosed
WO-1994001402-A1 HETEROCYCLIC AMIDE DERIVATIVES AS TACHYKININ DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1994-01-20 WO disclosed
US-5270334-A 4-methoxy-5-methyl-pyran-3-ol natural products and derivatives thereof E. R. SQUIBB & SONS, INC. (US) 1993-12-14 US disclosed
WO-1993018023-A1 HETEROCYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK SHARP & DOHME LIMITED (GB) 1993-09-16 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 (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-20130178443-A1 PHENYLQUINAZOLINE DERIVATIVES HSP90B1, HSP90AB1, HSP90AA1 ACHE 4751/4885EPHX2 4515/4885PLA2G2A 4265/4885
US-20210061813-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 ACHE 3126/4885EPHX2 885/4885PLA2G2A 4317/4885
US-10172830-B2 Pyrazolone compounds having human neutrophil elastase inhibitory properties SERPINB1, ELANE, EPX ACHE 2375/4885EPHX2 637/4885PLA2G2A 2220/4885

“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.