SCHEMBL1223543

SCHEMBL1223543

COC(=O)c1cc(C(C)(C)CC(C)(C)C)ccc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.54
▸ CA1 P00915 2/20 0.54
▸ CA2 P00918 2/20 0.54
▸ CA7 P43166 2/20 0.54
▸ CA9 Q16790 2/20 0.54
▸ CA14 Q9ULX7 2/20 0.54
▸ MDH1 P40925 8/20 0.54
▸ MDH2 P40926 8/20 0.54
▸ CYP3A4 P08684 2/20 0.47
▸ HIF1A Q16665 2/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ SHBG P04278 1/20 0.46
▸ PTGS2 P35354 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ EGFR P00533 3/20 0.44
▸ NOX4 Q9NPH5 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ ESR1 P03372 1/20 0.43

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
SCHEMBL8081709 0.86 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL9493126 0.83 SHBG (0.51) MDH1MDH2CYP3A4HIF1ACYP2D6
SCHEMBL1110466 0.83 CYP3A4 (0.50) CA12CA1CA2CA7CA9
SCHEMBL29987613 0.83 CYP3A4 (0.50) CA12CA1CA2CA7CA9
SCHEMBL648753 0.82 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL29637890 0.82 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL7773029 0.81 CYP3A4 (0.49) CA12CA1CA2CA7CA9
SCHEMBL7773033 0.81 CYP3A4 (0.49) CA12CA1CA2CA7CA9
SCHEMBL7278972 0.81 MDH1 (0.44) CA1CA2CA9MDH1MDH2
SCHEMBL13609957 0.81 CA12 (0.61) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110028730-A1 CYCLIC COMPOUNDS AND THE USE THEREOF AS LIGHT ABSORBERS, LIGHT EMITTERS, OR COMPLEX LIGANDS BASF AKTIENGESELLSCHAFT (DE) 2011-02-03 — — US disclosed
US-20110028730-A1 CYCLIC COMPOUNDS AND THE USE THEREOF AS LIGHT ABSORBERS, LIGHT EMITTERS, OR COMPLEX LIGANDS BASF AKTIENGESELLSCHAFT (DE) 2011-02-03 — — US disclosed
US-20110028730-A1 CYCLIC COMPOUNDS AND THE USE THEREOF AS LIGHT ABSORBERS, LIGHT EMITTERS, OR COMPLEX LIGANDS BASF AKTIENGESELLSCHAFT (DE) 2011-02-03 — — US disclosed
US-20050167637-A1 Cyclic compounds and the use thereof as light absorbers, light emitters, or complex ligands BASF AKTIENGESELLSCHAFT (DE) 2005-08-04 — — US disclosed
EP-0550111-B1 2-Saccharinylmethyl heterocyclic carboxylates useful as proteolytic enzyme inhibitors and pharmaceutical compositions containing them SANOFI SA (FR) 1999-04-14 — — EP disclosed
US-5874432-A Saccharin derivatives useful as proteolytic enzyme inhibitors and compositions and method of use thereof SANOFI (FR) 1999-02-23 — — US disclosed
US-5856349-A 2-Saccharinylmethyl heterocyclic carboxylates useful as proteolytic enzyme inhibitors and compositions and method of use thereof SANOFI (FR) 1999-01-05 — — US disclosed
US-5783589-A 2-saccharinylmethyl aryl and arloxy acetates useful as proteolytic enzyme inhibitors and compositions and method of use thereof SANOFI (FR) 1998-07-21 — — US disclosed
EP-0471756-B1 SACCHARIN DERIVATIVES USEFUL AS PROTEOLYTIC ENZYME INHIBITORS AND PREPARATION THEREOF SANOFI SA (FR) 1997-10-29 — — EP disclosed
US-5652254-A TREATMENT OF DEGENERATIVE DISEASES, RHEUMATOID ARTHRITIS, PSORIASIS, CYSTIC FIBROSIS SANOFI, S.A. (FR) 1997-07-29 — — US disclosed
EP-0542372-A1 2-Substituted saccharin derivative proteolytic enzyme inhibitors STERLING WINTHROP INC. (US) 1993-05-19 — — EP disclosed
US-5187173-A Degenerative diseases such as emphysema, rheumatoid arthritis, pancreatitis, cyctic fibrosis and skin disorders STERLING WINTHROP INC. (US) 1993-02-16 — — US disclosed
US-5128339-A Emphysema, rheumatoid arthritis, pancreatitis STERLING WINTHROP INC. (US) 1992-07-07 — — US disclosed
EP-0483928-A1 2-Saccharinylmethyl aryl carboxylates useful as proteolytic enzyme inhibitors and compositions and method of use STERLING WINTHROP INC. (US) 1992-05-06 — — EP disclosed
EP-0471756-A4 SACCHARIN DERIVATIVES USEFUL AS PROTEOLYTIC ENZYME INHIBITORS AND PREPARATION THEREOF — 1992-04-08 — — EP disclosed
EP-0471756-A1 SACCHARIN DERIVATIVES USEFUL AS PROTEOLYTIC ENZYME INHIBITORS AND PREPARATION THEREOF. STERLING WINTHROP INC (US) 1992-02-26 — — EP disclosed
WO-1990013549-A1 SACCHARIN DERIVATIVES USEFUL AS PROTEOLYTIC ENZYME INHIBITORS AND PREPARATION THEREOF STERLING WINTHROP INC. (US) 1990-11-15 — — WO disclosed
US-4935442-A Tetrahydrofuran-containing macrocyclic polyether carboxylic acids PFIZER INC. (US) 1990-06-19 — — US disclosed
US-4876367-A ANIMAL GROWTH REGULATORS PFIZER INC. (US) 1989-10-24 — — US disclosed
US-4777270-A INCREASE EFFICIENCY OF FEED UTILIZATION IN RUMINANTS PFIZER INC. (US) 1988-10-11 — — 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-20110028730-A1 CYCLIC COMPOUNDS AND THE USE THEREOF AS LIGHT ABSORBERS, LIGHT EMITTERS, OR COMPLEX LIGANDS NR2E3, SRD5A1, NR4A1 CA12 1492/4885CA1 2231/4885CA2 1599/4885

“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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