SCHEMBL144866

SCHEMBL144866

CC(C)Oc1ccc(OC(CC(N)OS(C)(=O)=O)c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.39
SLC6A9 P48067 1/20 0.38
CNR2 P34972 3/20 0.38
SLC6A4 P31645 7/20 0.38
SLC6A2 P23975 2/20 0.36
SLC6A3 Q01959 2/20 0.36
KCNK2 O95069 1/20 0.36
KCNH2 Q12809 1/20 0.36
CACNA1C Q13936 1/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PARP10 Q53GL7 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL143604 0.78 SLC6A9 (0.45) SLC7A5SLC6A9CNR2SLC6A4SLC6A2
Ammonia Solution, Strong SCHEMBL5450609 0.75 SLC6A4 (0.44) SLC7A5SLC6A9CNR2SLC6A4SLC6A2
SCHEMBL144865 0.75 SLC6A4 (0.56) SLC7A5SLC6A9CNR2SLC6A4SLC6A2
SCHEMBL7049659 0.72 SLC6A4 (0.53) SLC7A5SLC6A4SLC6A2SLC6A3KCNK2
SCHEMBL5405168 0.71 SLC6A4 (0.66) SLC7A5SLC6A4SLC6A2SLC6A3KCNK2
SCHEMBL5450613 0.70 SLC7A5 (0.49) SLC7A5SLC6A9SLC6A4SLC6A2SLC6A3
SCHEMBL5533205 0.70 SLC6A9 (0.46) SLC7A5SLC6A9SLC6A4SLC6A2SLC6A3
SCHEMBL7310728 0.69 SLC6A9 (0.49) SLC6A9SLC6A4ALDH1A1LMNA
Oxalic Acid SCHEMBL7315983 0.69 SLC6A4 (0.46) SLC7A5SLC6A9SLC6A4KMT2AMEN1
SCHEMBL5027210 0.68 SLC6A9 (0.47) SLC6A9SLC6A4ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040266882-A1 Aryloxypropylamines as chemosensitizing agents in the treatment of cancer RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2004-12-30 US claimed
US-20120058979-A1 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS ZALICUS INC. (US) 2012-03-08 US disclosed
US-8080553-B2 Methods and reagents for the treatment of immunoinflammatory disorders ZALICUS INC. (US) 2011-12-20 US disclosed
EP-2301628-A1 Methods and reagents for the treatment of immunoinflammatory disorders Zalicus Inc. (US) 2011-03-30 EP disclosed
EP-2218442-A1 Methods, compositions, and kits for the treatment of ophthalmic disorders CombinatoRx, Inc. (US) 2010-08-18 EP disclosed
US-20100081713-A1 COMPOSITIONS AND METHODS FOR TREATING VIRAL INFECTIONS CombinatoRx, (Singapore) Pte. Ltd. 2010-04-01 US disclosed
EP-2070550-A1 Use of combinations comprising a corticosteroid and a pyrimidopyrimidine in the treatment of inflammatory diseases Combinatorx, Incorporated (US) 2009-06-17 EP disclosed
EP-1670427-A4 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS COMBINATORX INC (US) 2009-01-07 EP disclosed
US-20080287406-A1 Compositions and methods for treating medical conditions ZALICUS INC. 2008-11-20 US disclosed
US-20080280862-A1 Methods, compositions, and kits for the treatment of pain COMBINATORX, INCORPORATED 2008-11-13 US disclosed
US-20040266882-A1 Aryloxypropylamines as chemosensitizing agents in the treatment of cancer RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2004-12-30 US disclosed
US-20040229849-A1 Methods and reagents for the treatment of diseases and disorders associated with increased levels of proinflammatory cytokines COMBINATORX, INCORPORATED 2004-11-18 US disclosed
US-20040224876-A1 Combination therapy for the treatment of immunoinflammatory disorders COMBINATORX, INCORPORATED 2004-11-11 US disclosed
US-20040220153-A1 Methods and reagents for the treatment of diseases and disorders associated with increased levels of proinflammatory cytokines COMBINATORX, INCORPORATED 2004-11-04 US disclosed
WO-2004073614-A2 COMBINATION THERAPY FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS COMBINATORX, INCORPORATED (US) 2004-09-02 WO disclosed
WO-2004030618-A2 METHODS AND REAGENTS FOR THE TREATMENT OF DISEASES AND DISORDERS ASSOCIATED WITH INCREASED LEVELS OF PROINFLAMMATORY CYTOKINES COMBINATORX, INCORPORATED (US) 2004-04-15 WO disclosed
US-4626549-A Treatment of obesity with aryloxyphenylpropylamines ELI LILLY AND COMPANY (US) 1986-12-02 US disclosed
US-4314081-A ANTIDEPRESSANTS ELI LILLY AND COMPANY (US) 1982-02-02 US disclosed
US-4313896-A ANTIDEPRESSANTS, PSYCHOTROPIC AGENTS ELI LILLY AND COMPANY (US) 1982-02-02 US disclosed
US-4194009-A ANTIDEPRESSANT ELI LILLY AND COMPANY (US) 1980-03-18 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 (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-20080280862-A1 Methods, compositions, and kits for the treatment of pain ACHE, MPO, P2RX3 SLC7A5 4885/4885SLC6A9 3392/4885CNR2 170/4885
US-20040266882-A1 Aryloxypropylamines as chemosensitizing agents in the treatment of cancer ABCC1, PNMT, ABCB1 SLC7A5 1305/4885SLC6A9 2252/4885CNR2 937/4885
US-20040224876-A1 Combination therapy for the treatment of immunoinflammatory disorders HLA-DRB1, TSLP, SERPINA6 SLC7A5 3567/4885SLC6A9 4106/4885CNR2 345/4885
US-20040220153-A1 Methods and reagents for the treatment of diseases and disorders associated with increased levels of proinflammatory cytokines TNF, IL5, IL6 SLC7A5 3956/4885SLC6A9 4472/4885CNR2 284/4885
US-20080287406-A1 Compositions and methods for treating medical conditions S100B, S100P, S100A6 SLC7A5 4577/4885SLC6A9 4467/4885CNR2 171/4885
US-20040229849-A1 Methods and reagents for the treatment of diseases and disorders associated with increased levels of proinflammatory cytokines TNF, IL5, IL6 SLC7A5 3956/4885SLC6A9 4472/4885CNR2 284/4885
US-20100081713-A1 COMPOSITIONS AND METHODS FOR TREATING VIRAL INFECTIONS IFNG, IL5, HAVCR2 SLC7A5 4881/4885SLC6A9 4747/4885CNR2 2827/4885
US-20120058979-A1 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS IL5, TPMT, TSLP SLC7A5 4623/4885SLC6A9 4836/4885CNR2 750/4885

“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.