SCHEMBL6744373

SCHEMBL6744373

CC(C)(C)OC(=O)OC(=O)[C@H]1NCCC1OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 7/20 0.42
KLK5 Q9Y337 5/20 0.38
TACR1 P25103 1/20 0.38
CTSL P07711 1/20 0.36
STS P08842 1/20 0.35
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL3961464 0.82 KCNA5 (0.42) TACR1TSHRBCHEACHE
SCHEMBL3961467 0.82 KCNA5 (0.42) TACR1TSHRBCHEACHE
SCHEMBL3961461 0.82 KCNA5 (0.42) TACR1TSHRBCHEACHE
SCHEMBL19333763 0.82 KCNA5 (0.42) TACR1TSHRBCHEACHE
SCHEMBL3961462 0.82 KCNA5 (0.42) TACR1TSHRBCHEACHE
Hydrochloric Acid SCHEMBL6234960 0.81 TSHR (0.41) TACR1TSHRBCHEACHE
SCHEMBL311161 0.79 MAOB (0.44)
SCHEMBL840905 0.79 MAOB (0.44)
SCHEMBL841243 0.79 MAOB (0.44)
SCHEMBL19333652 0.79 TACR1 (0.43) TACR1CTSLBCHEACHE

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-6693072-B2 Elastase inhibitors AVENTIS PHARMACEUTICALS INC. 2004-02-17 US disclosed
EP-0804465-B1 NOVEL ELASTASE INHIBITORS AVENTIS PHARMA INC (US) 2003-08-06 EP disclosed
US-20030096759-A1 Novel elastase inhibitors AVENTISUB II INC. 2003-05-22 US disclosed
EP-0804465-A1 NOVEL ELASTASE INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1997-11-05 EP disclosed
WO-1995033763-A1 NOVEL ELASTASE INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1995-12-14 WO disclosed
US-4082736-A NOVEL IMMUNOLOGICAL ADJUVANT COMPOUNDS AND METHODS OF PREPARATION THEREOF SYNTEX (U.S.A.) INC. (US) 1978-04-04 US disclosed
US-4082735-A NOVEL IMMUNOLOGICAL ADJUVANT COMPOUNDS AND METHODS OF PREPARATION THEREOF SYNTEX (U.S.A.) INC. (US) 1978-04-04 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 (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-20030096759-A1 Novel elastase inhibitors ELANE, SERPINB1, MMP8 KLK7 1230/4885KLK5 962/4885TACR1 3732/4885

“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.