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Sugi Predict / Compounds / SCHEMBL3383891

SCHEMBL3383891

SCHEMBL3383891

O=C(N[C@@H](CCO)c1ccc(F)cc1F)[C@@H]1SCCN1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ TYK2 P29597 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ CFD P00746 2/20 0.37
▸ PTGFR P43088 1/20 0.35
▸ OPRM1 P35372 1/20 0.34
▸ KCNK3 O14649 2/20 0.34
▸ DPP4 P27487 6/20 0.32
▸ ACKR3 P25106 3/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ GPR139 Q6DWJ6 1/20 0.32

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
SCHEMBL3386255 0.86 PTGFR (0.46) JAK2JAK1TYK2JAK3CFD
SCHEMBL13005178 0.86 KDM4D (0.37) JAK2JAK1TYK2JAK3CFD
SCHEMBL3382787 0.82 CFD (0.40) CFDPTGFRKCNK3DPP4
SCHEMBL3383580 0.80 PRKACA (0.40) CFDPTGFR
SCHEMBL7045396 0.80 PRKACA (0.40) CFDPTGFR
SCHEMBL3383657 0.80 PTGFR (0.59) PTGFR
SCHEMBL18055685 0.72 PTGFR (0.43) CFDPTGFR
SCHEMBL13715039 0.72 PTGFR (0.43) CFDPTGFR
SCHEMBL22017296 0.70 PTGFR (0.43) JAK2JAK1TYK2JAK3CFD
SCHEMBL3918256 0.69 PTGFR (0.58) PTGFR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415480-B2 Thiazolidine carboxamide derivatives as modulators of the prostaglandin F receptor MERCK SERONO SA (CH) 2013-04-09 — — US disclosed
EP-1487442-B1 THIAZOLIDINE CARBOXAMIDE DERIVATIVES AS MODULATORS OF THE PROSTAGLANDIN F RECEPTOR MERCK SERONO SA (CH) 2010-12-01 — — EP disclosed
US-20090215749-A9 THIAZOLIDINE CARBOXAMIDE DERIVATIVES AS MODULATORS OF THE PROSTAGLANDIN F RECEPTOR LABORATOIRES SERONO S.A. (CH) 2009-08-27 — — US disclosed
US-20080255094-A1 THIAZOLIDINE CARBOXAMIDE DERIVATIVES AS MODULATORS OF THE PROSTAGLANDIN F RECEPTOR LABORATOIRES SERONO S.A. (CH) 2008-10-16 — — US disclosed
US-20050215605-A1 Thiazolidine carboxamide derivatives as modulators of the prostaglandin f receptor MERCK SERONO SA (CH) 2005-09-29 — — 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 (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-20090215749-A9 THIAZOLIDINE CARBOXAMIDE DERIVATIVES AS MODULATORS OF THE PROSTAGLANDIN F RECEPTOR PTGER4, PTGER2, PTGER1 JAK2 986/4885JAK1 2827/4885TYK2 1169/4885
US-20080255094-A1 THIAZOLIDINE CARBOXAMIDE DERIVATIVES AS MODULATORS OF THE PROSTAGLANDIN F RECEPTOR PTGER4, PTGER2, PTGER1 JAK2 986/4885JAK1 2827/4885TYK2 1169/4885
US-20050215605-A1 Thiazolidine carboxamide derivatives as modulators of the prostaglandin f receptor TBXA2R, CNR2, PTGDR JAK2 1452/4885JAK1 3663/4885TYK2 1690/4885

“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.