SCHEMBL416031

SCHEMBL416031

O=P(Oc1ccccc1)(Oc1ccccc1)C1CCCN1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.52
DPP8 Q6V1X1 3/20 0.52
ANPEP P15144 1/20 0.51
SRC P12931 1/20 0.44
DPP7 Q9UHL4 2/20 0.41
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LTA4H P09960 4/20 0.37
POLB P06746 1/20 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
Hydrochloric Acid SCHEMBL7424508 0.98 DPP4 (0.53) DPP4DPP8ANPEPSRCDPP7
SCHEMBL7426176 0.95 DPP4 (0.48) DPP4DPP8ANPEPSRCDPP7
Hydrochloric Acid SCHEMBL7424349 0.94 DPP4 (0.49) DPP4DPP8ANPEPSRCDPP7
SCHEMBL459085 0.84 SRC (0.50) DPP4DPP8ANPEPSRCDPP7
Hydrochloric Acid SCHEMBL7412521 0.83 LTA4H (0.43) DPP4DPP8ANPEPLTA4H
Hydrochloric Acid SCHEMBL7416578 0.78 LTA4H (0.45) DPP4DPP8ANPEPLTA4H
Hydrochloric Acid SCHEMBL7420802 0.78 LTA4H (0.45) DPP4ANPEPLTA4H
SCHEMBL12676947 0.72 SRC (0.50) DPP4DPP8ANPEPSRCDPP7
SCHEMBL28000354 0.72 DPP4 (0.45) DPP4DPP8ANPEPSRCDPP7
SCHEMBL8349055 0.72 SRC (0.45) DPP4DPP8ANPEPSRCDPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245020-B1 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF ABBVIE INC (US) 2014-01-15 EP claimed
EP-2245020-A2 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF Abbott Laboratories (US) 2010-11-03 EP claimed
WO-2009086163-A2 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-07-09 WO claimed
US-20090163470-A1 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-06-25 US claimed
US-8865623-B2 Herbicidally active cyclic diones and derivatives thereof, processes for their preparation, compositions, and method of controlling weeds SYNGENTA LIMITED (GB) 2014-10-21 US disclosed
EP-2245020-B1 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF ABBVIE INC (US) 2014-01-15 EP disclosed
US-8476430-B2 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-02 US disclosed
EP-2323665-B1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL MYERS SQUIBB CO (US) 2013-06-19 EP disclosed
US-8383657-B2 Thiazolylidine urea and amide derivatives and methods of use thereof ABBOTT LABORATORIES (US) 2013-02-26 US disclosed
US-20120021907-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 US disclosed
EP-2349995-A1 SELECTIVE SEPRASE INHIBITORS Molecular Insight Pharmaceuticals, Inc. (US) 2011-08-03 EP disclosed
US-20110124640-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2011-05-26 US disclosed
US-20100098633-A1 SELECTIVE SEPRASE INHIBITORS MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2010-04-22 US disclosed
WO-2010036814-A1 SELECTIVE SEPRASE INHIBITORS MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2010-04-01 WO disclosed
WO-2010036814-A1 SELECTIVE SEPRASE INHIBITORS MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2010-04-01 WO disclosed
WO-2010011837-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-28 WO disclosed
WO-2009086163-A2 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-07-09 WO disclosed
US-20090163470-A1 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-06-25 US disclosed
US-5543396-A Proline phosphonate derivatives GEORGIA TECH RESEARCH CORP. (US) 1996-08-06 US disclosed
WO-1995029691-A1 PROLINE PHOSPHONATE DERIVATIVES GEORGIA TECH RESEARCH CORPORATION (US) 1995-11-09 WO 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 (4 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-20090163470-A1 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF NMUR1, NMUR2, PAM DPP4 690/4885DPP8 636/4885ANPEP 704/4885
US-20100098633-A1 SELECTIVE SEPRASE INHIBITORS SLC6A7, DNPEP, PREP DPP4 472/4885DPP8 447/4885ANPEP 17/4885
US-20120021907-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 DPP4 49/4885DPP8 340/4885ANPEP 1236/4885
US-20110124640-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BTK, LYN, ABL1 DPP4 4210/4885DPP8 4110/4885ANPEP 4230/4885

“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.