SCHEMBL140913

SCHEMBL140913

CCCCCC(N)(CO)Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 9/20 0.50
TNNC1 P63316 6/20 0.50
S1PR4 O95977 6/20 0.50
S1PR3 Q99500 6/20 0.50
S1PR5 Q9H228 5/20 0.50
SGPL1 O95470 1/20 0.50
GPR183 P32249 1/20 0.50
CERS2 Q96G23 1/20 0.50
SPHK2 Q9NRA0 2/20 0.44
SPHK1 Q9NYA1 1/20 0.44
ENPP2 Q13822 1/20 0.43
SIGMAR1 Q99720 2/20 0.43
S1PR2 O95136 4/20 0.42
FDPS P14324 1/20 0.41

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
SCHEMBL9776023 0.77 SIGMAR1 (0.41) S1PR1TNNC1S1PR4S1PR3S1PR5
SCHEMBL9776134 0.77 SIGMAR1 (0.41) S1PR1TNNC1S1PR4S1PR3S1PR5
SCHEMBL9776156 0.77 ARG1 (0.47) SIGMAR1FDPS
SCHEMBL28979397 0.75 SIGMAR1 (0.44) SIGMAR1FDPS
SCHEMBL9422769 0.74 FDPS (0.47) SIGMAR1FDPS
SCHEMBL9130780 0.74 FDPS (0.47) SIGMAR1FDPS
SCHEMBL141241 0.74 FDPS (0.47) SIGMAR1FDPS
SCHEMBL2212796 0.73 TNNC1 (0.49) S1PR1TNNC1S1PR4S1PR3S1PR5
SCHEMBL8499516 0.73 S1PR1 (0.87) S1PR1TNNC1S1PR4S1PR3S1PR5
SCHEMBL8499357 0.73 S1PR1 (0.87) S1PR1TNNC1S1PR4S1PR3S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4994617-A Analgesics JOUVEINAL S.A. (FR) 1991-02-19 US claimed
EP-0237366-A1 Amino alcohols, process for their preparation and their applications, in particular for therepeutical use JOUVEINAL S.A. (FR) 1987-09-16 EP 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
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
WO-2008133884-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS COMBINATORX, INCORPORATED (US) 2008-11-06 WO disclosed
US-20050119160-A1 Methods and reagents for the treatment of immunoinflammatory disorders ZALICUS INC. 2005-06-02 US disclosed
WO-2005037203-A2 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS COMBINATORX, INCORPORATED (US) 2005-04-28 WO 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-4994617-A Analgesics JOUVEINAL S.A. (FR) 1991-02-19 US disclosed
EP-0237366-B1 AMINO ALCOHOLS, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATIONS, IN PARTICULAR FOR THEREPEUTICAL USE JOUVEINAL S.A. (FR) 1989-04-26 EP 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 S1PR1 3173/4885TNNC1 58/4885S1PR4 3054/4885
US-20040224876-A1 Combination therapy for the treatment of immunoinflammatory disorders HLA-DRB1, TSLP, SERPINA6 S1PR1 807/4885TNNC1 1191/4885S1PR4 941/4885
US-20040220153-A1 Methods and reagents for the treatment of diseases and disorders associated with increased levels of proinflammatory cytokines TNF, IL5, IL6 S1PR1 592/4885TNNC1 2062/4885S1PR4 783/4885
US-20080287406-A1 Compositions and methods for treating medical conditions S100B, S100P, S100A6 S1PR1 1189/4885TNNC1 231/4885S1PR4 1454/4885
US-20040229849-A1 Methods and reagents for the treatment of diseases and disorders associated with increased levels of proinflammatory cytokines TNF, IL5, IL6 S1PR1 592/4885TNNC1 2062/4885S1PR4 783/4885
US-20100081713-A1 COMPOSITIONS AND METHODS FOR TREATING VIRAL INFECTIONS IFNG, IL5, HAVCR2 S1PR1 2070/4885TNNC1 207/4885S1PR4 2358/4885
US-20120058979-A1 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS IL5, TPMT, TSLP S1PR1 923/4885TNNC1 2585/4885S1PR4 972/4885
US-20050119160-A1 Methods and reagents for the treatment of immunoinflammatory disorders IL5, TPMT, TSLP S1PR1 923/4885TNNC1 2585/4885S1PR4 972/4885

“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.