SCHEMBL9535

SCHEMBL9535

COc1ccc(-c2ccc(Cn3c(CC(C)(C)C(=O)O)c(SC(C)(C)C)c4cc(OCc5ccccn5)ccc43)cc2)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 20/20 1.00
PTGS1 P23219 2/20 0.89
CYP2C9 P11712 3/20 0.85
CYP3A4 P08684 2/20 0.83
CYP2D6 P10635 1/20 0.82

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
SCHEMBL30585982 1.00 ALOX5AP (1.00) ALOX5APPTGS1CYP2C9CYP3A4CYP2D6
SCHEMBL2936036 0.99 ALOX5AP (0.99) ALOX5APPTGS1CYP2C9CYP3A4CYP2D6
SCHEMBL13415377 0.94 ALOX5AP (0.90) ALOX5APPTGS1CYP2C9CYP3A4CYP2D6
SCHEMBL13415378 0.94 ALOX5AP (0.90) ALOX5APPTGS1CYP2C9CYP3A4CYP2D6
SCHEMBL1721814 0.94 ALOX5AP (0.89) ALOX5APPTGS1CYP2C9CYP3A4CYP2D6
SCHEMBL169843 0.94 ALOX5AP (1.00) ALOX5APPTGS1CYP2C9CYP3A4CYP2D6
SCHEMBL170294 0.94 ALOX5AP (0.88) ALOX5APPTGS1CYP2C9CYP3A4CYP2D6
SCHEMBL2974070 0.93 ALOX5AP (0.87) ALOX5APPTGS1CYP2C9CYP3A4CYP2D6
SCHEMBL3057383 0.93 ALOX5AP (0.87) ALOX5APPTGS1CYP2C9CYP3A4CYP2D6
SCHEMBL3057395 0.93 ALOX5AP (0.87) ALOX5APPTGS1CYP2C9CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024264025-A2 THERAPEUTIC TARGETING OF HYPDH/PRODH2 AND PRODH1 TO SUPPRESS 4-HYDROXYPROLINE AND PROLINE CATABOLISM BUCK INSTITUTE FOR RESEARCH ON AGING (US) 2024-12-26 WO claimed
US-20230390232-A1 N-PROPARGYLGLYCINE: A UNIQUE INHIBITOR OF PROLINE DEHYDROGENASE WITH BRAIN-ENHANCING MITOHORMESIS PROPERTIES CAPABLE OF MITIGATING THE PATHOGENESIS OF NEURODEGENERATIVE DISORDERS NATIONAL INSTITUTES OF HEALTH 2023-12-07 US claimed
CN-113476614-B Homopolymeric electrolyte composite vesicle, preparation method thereof, antibacterial vesicle, vesicle coated with hydrophobic substance and anti-adhesion vesicle 青岛科技大学 2023-08-25 CN claimed
WO-2023279594-A1 HOMOPOLYMER ELECTROLYTE COMPOSITE VESICLE, PREPARATION METHOD THEREFOR, ANTIBACTERIAL VESICLE, VESICLE CONTAINING HYDROPHOBIC SUBSTANCES AND ANTI-ADHESION VESICLE 青岛科技大学 2023-01-12 WO claimed
CN-113476614-A Uniform polyelectrolyte composite vesicle and preparation method thereof, antibacterial vesicle, hydrophobic substance-encapsulated vesicle and anti-adhesion vesicle 青岛科技大学 2021-10-08 CN claimed
US-20200147064-A1 Reduction of Pro-Inflammatory HDL Using a Leukotriene Inhibitor AUTOIMMUNE PHARMA LLC (US) 2020-05-14 US claimed
WO-2018152405-A1 REDUCTION OF PRO-INFLAMMATORY HDL USING A LEUKOTRIENE INHIBITOR AUTOIMMUNE PHARMA LLC (US) 2018-08-23 WO claimed
US-20170348266-A1 INHIBITION OF PROLINE CATABOLISM FOR THE TREATMENT OF CANCER AND OTHER THERAPEUTIC APPLICATIONS BUCK INSTITUTE FOR RESEARCH ON AGING 2017-12-07 US claimed
WO-2016077632-A2 INHIBITION OF PROLINE CATABOLISM FOR THE TREATMENT OF CANCER AND OTHER THERAPEUTIC APPLICATIONS BUCK INSTITUTE FOR RESEARCH ON AGING (US) 2016-05-19 WO claimed
US-8546431-B2 5-lipoxygenase-activating protein (FLAP) inhibitors PANMIRA PHARMACEUTICALS, LLC (US) 2013-10-01 US claimed
US-20070219206-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2007-09-20 US claimed
US-20070105866-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2007-05-10 US claimed
US-7115543-B2 Aryl sulfonyl amino carbonyl triazole based selective herbicides BAYER CROPSCIENCE AG (DE) 2006-10-03 US claimed
US-20050192182-A1 Herbicidal mixtures based on substituted aryl ketones BAYER CROPSCIENCE AG (DE) 2005-09-01 US claimed
EP-1303189-B1 ARYL SULFONYL AMINO CARBONYL TRIAZOLE BASED SELECTIVE HERBICIDES BAYER CROPSCIENCE AG (DE) 2005-08-24 EP claimed
US-20050090397-A1 Herbicides made from substituted aryl ketones BAYER CROPSCIENCE AG (GB) 2005-04-28 US claimed
US-20050009705-A1 Selective herbicides based on substituted thien-3-yl-sulfonylamino(thio)carbonyltriazolin(thi)ones and safeners BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-01-13 US claimed
US-6770599-B2 Tetrazole derivatives BAYER CROPSCIENCE KK (JP) 2004-08-03 US claimed
US-20040116294-A1 Herbicides based on substituted aryl ketones BAYER CROPSCIENCE AG (DE) 2004-06-17 US claimed
US-20030211942-A1 Aryl sulfonyl amino carbonyl triazole based selective herbicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2003-11-13 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-20070105866-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, ALOX15B, ALOX15 ALOX5AP 4/4885PTGS1 27/4885CYP2C9 2125/4885
US-20050192182-A1 Herbicidal mixtures based on substituted aryl ketones DDT, CBR3, CYP1B1 ALOX5AP 4229/4885PTGS1 3734/4885CYP2C9 58/4885
US-20170348266-A1 INHIBITION OF PROLINE CATABOLISM FOR THE TREATMENT OF CANCER AND OTHER THERAPEUTIC APPLICATIONS GLUL, GLS2, PHGDH ALOX5AP 4270/4885PTGS1 928/4885CYP2C9 2684/4885
US-20030211942-A1 Aryl sulfonyl amino carbonyl triazole based selective herbicides AADAC, CBR3, ABAT ALOX5AP 2988/4885PTGS1 4457/4885CYP2C9 578/4885
US-20050090397-A1 Herbicides made from substituted aryl ketones DDT, CBR3, CBR1 ALOX5AP 3791/4885PTGS1 3666/4885CYP2C9 103/4885
US-20050009705-A1 Selective herbicides based on substituted thien-3-yl-sulfonylamino(thio)carbonyltriazolin(thi)ones and safeners TARS2, TST, DDT ALOX5AP 4117/4885PTGS1 3466/4885CYP2C9 230/4885
US-20200147064-A1 Reduction of Pro-Inflammatory HDL Using a Leukotriene Inhibitor LTB4R, LTC4S, LTB4R2 ALOX5AP 35/4885PTGS1 22/4885CYP2C9 619/4885
US-20070219206-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, ALOX15B, ALOX15 ALOX5AP 4/4885PTGS1 27/4885CYP2C9 2125/4885

“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.