SCHEMBL29835

SCHEMBL29835

C=CCNC(=S)OCCCCC

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.46
CA12 O43570 3/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA9 Q16790 3/20 0.46
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 4/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
EPHX1 P07099 1/20 0.38
ACHE P22303 5/20 0.37

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
SCHEMBL8390789 0.98 FAAH (0.49) FAAHCA12CA1CA2CA9
SCHEMBL17443837 0.95 GAA (0.45) FAAHCA12CA1CA2CA9
SCHEMBL10885725 0.87 HPGD (0.44) FAAHLMNAGAATSHRALDH1A1
SCHEMBL28131325 0.79 CA12 (0.54) FAAHCA12CA1CA2CA9
SCHEMBL7074751 0.79
SCHEMBL29939 0.79 ACHE (0.58) FAAHEPHX1ACHE
SCHEMBL11338236 0.77 ACHE (0.61) FAAHTSHREPHX1ACHE
SCHEMBL20839538 0.77 ACHE (0.61) FAAHTSHREPHX1ACHE
SCHEMBL2495229 0.77 CA12 (0.52) CA12CA1CA2CA9EPHX1
SCHEMBL11847184 0.77 CA12 (0.53) FAAHCA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116390731-A Combined cancer therapy with pentaaza macrocyclic complexes and hormonal therapeutic agents 加莱拉实验室有限责任公司 2023-07-04 CN claimed
EP-2056675-B1 METHODS OF TREATING ORAL MUCOSITIS GALERA LABS LLC (US) 2019-01-09 EP claimed
US-20090099150-A1 Methotrexate Combinations For Treating Inflammatory Diseases SALVEMINI DANIELA 2009-04-16 US claimed
WO-2006078713-A2 METHOTREXATE COMBINATIONS FOR TREATING INFLAMMATORY DISEASES METAPHORE PHARMACEUTICALS, INC. (US) 2006-07-27 WO claimed
US-20060089710-A1 Biopolymers modified with superoxide dismutase mimics PHARMACIA CORPORATION 2006-04-27 US claimed
WO-2006037050-A2 METHODS FOR TREATING CONGESTIVE HEART FAILURE METAPHORE PHARMACEUTICALS, INC. (US) 2006-04-06 WO claimed
US-20050175580-A1 Compositions and methods for enhancing cytokine activity and treating hypotension associated with the administration of cytokines HORIZON TECHNOLOGY FUNDING COMPANY, LLC 2005-08-11 US claimed
JP-2005519852-A 2005-07-07 JP claimed
WO-2005060437-A2 COMPOSITION COMBINATIONS AND METHODS FOR TREATING, PREVENTING, REVERSING AND INHIBITING PAIN METAPHORE PHARMACEUTICALS, INC. (US) 2005-07-07 WO claimed
WO-2005044149-A1 MODIFIED HYALURONIC ACID POLYMERS PHARMACIA CORPORATION (US) 2005-05-19 WO claimed
WO-2002058686-A2 METHOD OF TREATMENT OF NEURODEGENERATIVE DISORDERS USING PENTAAZA-MACROCYCLIC LIGAND COMPLEXES METAPHORE PHARMACEUTICALS, INC. (US) 2002-08-01 WO claimed
WO-2002053142-A2 COMPOSITIONS AND METHODS FOR ENHANCING CYTOKINE ACTIVITY AND TREATING HYPOTENSION ASSOCIATED WITH THE ADMINISTRATION OF CYTOKINES METAPHORE PHARMACEUTICALS, INC. (US) 2002-07-11 WO claimed
US-20020072512-A1 Method of preventing and treating HIV-mediated central nervous system damage METAPHORE PHARMACEUTICALS, INC 2002-06-13 US claimed
WO-2002028390-A1 COMPOSITION COMPRISING A CATALYST FOR THE DISMUTATION OF SUPEROXIDE AND USE OF THE COMPOSITION FOR PREVENTING AND TREATING HYPOTENSION PHARMACIA CORPORATION (US) 2002-04-11 WO claimed
EP-1185312-A2 BIOMATERIALS MODIFIED WITH SUPEROXIDE DISMUTASE MIMICS MONSANTO COMPANY (US) 2002-03-13 EP claimed
US-6245758-B1 ADMINISTERING MANGANESE, VANADIUM, NICKEL OR IRON COMPLEX; ANTICARCINOGENIC AND ANTIINFLAMMATORY AGENTS; MULTIPLE SCLEROSIS, PARKINSON*S DISEASE ACTIVBIOTICS, INC 2001-06-12 US claimed
WO-2000072893-A2 BIOMATERIALS MODIFIED WITH SUPEROXIDE DISMUTASE MIMICS MONSANTO COMPANY (US) 2000-12-07 WO claimed
EP-0586585-B1 1,2-DIHYDROPYRIDO(3,4-B)PYRAZINES AS FUNGICIDES SOUTHERN RES INST (US) 2000-07-05 EP claimed
EP-0758892-A1 METHODS OF USE FOR PEROXYNITRITE DECOMPOSITION CATALYSTS, PHARMACEUTICAL COMPOSITIONS THEREFOR MONSANTO COMPANY (US) 1997-02-26 EP claimed
WO-1995031197-A1 METHODS OF USE FOR PEROXYNITRITE DECOMPOSITION CATALYSTS, PHARMACEUTICAL COMPOSITIONS THEREFOR MONSANTO COMPANY (US) 1995-11-23 WO 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 (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-20050175580-A1 Compositions and methods for enhancing cytokine activity and treating hypotension associated with the administration of cytokines SOD1, SOD3, IL6 FAAH 4230/4885CA12 1236/4885CA1 775/4885
US-20020072512-A1 Method of preventing and treating HIV-mediated central nervous system damage ACHE, GAP43, SOD3 FAAH 2318/4885CA12 2204/4885CA1 666/4885
US-20090099150-A1 Methotrexate Combinations For Treating Inflammatory Diseases MTX1, TPMT, MTX2 FAAH 3571/4885CA12 1352/4885CA1 2192/4885

“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.