SCHEMBL5222478

SCHEMBL5222478

CC(C)C(OS(=O)(=O)C(F)(F)F)C(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CTSB P07858 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CA1 P00915 5/20 0.40
CA2 P00918 5/20 0.40
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
ELANE P08246 2/20 0.40
SLC15A1 P46059 1/20 0.40
ACHE P22303 3/20 0.39
IL1RN P18510 1/20 0.39
ERAP2 Q6P179 1/20 0.39

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
SCHEMBL8874165 1.00 ALDH1A1 (0.45) ALDH1A1CTSLCTSSKMT2AMEN1
SCHEMBL3913155 1.00 ALDH1A1 (0.45) ALDH1A1CTSLCTSSKMT2AMEN1
SCHEMBL18256487 0.86 ALDH1A1 (0.47) ALDH1A1CTSLCTSSKMT2AMEN1
SCHEMBL3525448 0.86 ALDH1A1 (0.47) ALDH1A1CTSLCTSSKMT2AMEN1
SCHEMBL20276639 0.86 ALDH1A1 (0.47) ALDH1A1CTSLCTSSKMT2AMEN1
SCHEMBL7313485 0.81 CTSK (0.43) ALDH1A1CTSLCTSSCTSB
SCHEMBL5870158 0.81 CTSK (0.43) ALDH1A1CTSLCTSSCTSB
SCHEMBL8535402 0.81 CTSB (0.47) CTSLCTSSKMT2AMEN1CTSB
SCHEMBL5555255 0.80 CA12 (0.44) ALDH1A1KMT2AMEN1TDP1MAPK1
SCHEMBL5133280 0.80 CA12 (0.44) ALDH1A1KMT2AMEN1TDP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070014725-A1 Conjugates of macrocyclic metal complexes with biomolecules and their use for the production of agents for NMR diagnosis and radiodiagnosis as well as radiotherapy SCHERING AG (DE) 2007-01-18 US disclosed
US-7164016-B2 Macrocyclic metal complexes and their use for the production of conjugates with biomolecules SCHERING AG (DE) 2007-01-16 US disclosed
US-20070009442-A1 Macrocyclic metal complexes and their use for the production of conjugates with biomolecules SCHERING AG (DE) 2007-01-11 US disclosed
EP-1740549-A2 NOVEL IMIDAZOLES Warner-Lambert Company LLC (US) 2007-01-10 EP disclosed
US-20060287378-A1 Novel pyrroles and imidazoles WARNER-LAMBERT COMPANY LLC 2006-12-21 US disclosed
WO-2005105079-A2 NOVEL IMIDAZOLES WARNER-LAMBERT COMPANY LLC (US) 2005-11-10 WO disclosed
US-20050239857-A1 Novel imidazoles BOLTON GARY L 2005-10-27 US disclosed
US-20030206865-A1 Conjugates of macrocyclic metal complexes with biomolecules and their use for the production of agents for NMR diagnosis and radiodiagnosis as well as radiotherapy SCHERING AG (DE) 2003-11-06 US disclosed
US-20030108486-A1 Macrocyclic metal complexes and their use for the production of conjugates with biomolecules SCHERING AG (DE) 2003-06-12 US disclosed
US-6441020-B1 INDOLACTAM DERIVATIVE ANTIINFLAMMATORY AGENTS PROCYON PHARMACEUTICALS, INC. 2002-08-27 US disclosed
US-5891870-A ANTIINFLAMMATORY AGENTS USING BENZODITERPENES AND BENZOLACTAMS PROCYON PHARMACEUTICALS, INC. (US) 1999-04-06 US disclosed
US-5891906-A Polyacetate-derived phorboids having anti-inflammatory and other uses PROCYON PHARMACEUTICALS, INC. (US) 1999-04-06 US disclosed
US-5886019-A REPLACEMENT OF HYDROXYMETHYL OR-ETHYL GROUP ON TRICYCLIC AROMATIC HETEROCYCLIC COMPOUNDS HAVING INDOLE, INDENE, BENZOFURAN OR BENZOTHIOPHENE SKELETON; ANTIINFLAMMATORY, ANTIVIRAL PROCYON PHARMACEUTICALS, INC. (US) 1999-03-23 US disclosed
US-5750568-A DITERPENE PHORBOIDS PROCYON PHARMACEUTICALS, INC. (US) 1998-05-12 US disclosed
US-5716968-A ANTIINFLAMMATORY AGENTS; VIRICIDE PROCYON PHARMACEUTICALS, INC. (US) 1998-02-10 US disclosed
US-5643948-A ANTIINFLAMMATORY, ANTICANCER PROCYON PHARMACEUTICALS, INC. (US) 1997-07-01 US disclosed
WO-1997015575-A1 PROTEIN KINASE C MODULATORS. Y. PROCYON PHARMACEUTICALS, INC. (US) 1997-05-01 WO disclosed
US-5610153-A ENZYME INHIBITORS; TREATMENT OF VASCULAR PROLIFERATION DISORDERS, STERILITY DYSFUNCTION, DYSMENORRHEA CIBA-GEIGY CORPORATION (US) 1997-03-11 US disclosed
EP-0553107-A1 PROTEIN KINASE C MODULATORS WITH ANTI-INFLAMMATORY AND ANTIVIRAL ACTIVITY PROCYON PHARMACEUTICALS, INC. (US) 1993-08-04 EP disclosed
WO-1992002484-A1 PROTEIN KINASE C MODULATORS WITH ANTI-INFLAMMATORY AND ANTIVIRAL ACTIVITY ALDER RESEARCH CENTER LIMITED PARTNERSHIP (US) 1992-02-20 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 (6 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-20030108486-A1 Macrocyclic metal complexes and their use for the production of conjugates with biomolecules CA13, MPI, CA14 ALDH1A1 3392/4885CTSL 1152/4885CTSS 671/4885
US-20070014725-A1 Conjugates of macrocyclic metal complexes with biomolecules and their use for the production of agents for NMR diagnosis and radiodiagnosis as well as radiotherapy CA13, CA14, CA12 ALDH1A1 2758/4885CTSL 1414/4885CTSS 823/4885
US-20030206865-A1 Conjugates of macrocyclic metal complexes with biomolecules and their use for the production of agents for NMR diagnosis and radiodiagnosis as well as radiotherapy CA13, CA14, CA12 ALDH1A1 2758/4885CTSL 1414/4885CTSS 823/4885
US-20060287378-A1 Novel pyrroles and imidazoles PPIP5K2, PPIE, PPOX ALDH1A1 2496/4885CTSL 2150/4885CTSS 1900/4885
US-20050239857-A1 Novel imidazoles HMGCR, HMGB2, HMGB3 ALDH1A1 560/4885CTSL 4188/4885CTSS 2538/4885
US-20070009442-A1 Macrocyclic metal complexes and their use for the production of conjugates with biomolecules CA13, MPI, CA14 ALDH1A1 3392/4885CTSL 1152/4885CTSS 671/4885

“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.