SCHEMBL8974408

SCHEMBL8974408

NC(C(O)=S)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.50
F2 P00734 1/20 0.50
ADRA2A P08913 1/20 0.44
ADRA2C P18825 1/20 0.44
LMNA P02545 1/20 0.44
HIF1A Q16665 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.43
AOC3 Q16853 1/20 0.41
HTR2A P28223 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40

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
SCHEMBL5165010 0.78 DPP4 (0.44) DPP4F2ADRA2AADRA2CLMNA
SCHEMBL28363604 0.74 DPP4 (0.50) DPP4F2ADRA2AADRA2CLMNA
SCHEMBL946139 0.74 DPP4 (0.50) DPP4F2ADRA2AADRA2CLMNA
Phenylglycine SCHEMBL30559595 0.74 CYP2D6 (0.56) DPP4F2LMNAKDM4EALDH1A1
SCHEMBL12729962 0.74 DPP4 (0.50) DPP4F2ADRA2AADRA2CLMNA
Phenylglycine SCHEMBL157180 0.74 CYP2D6 (0.56) DPP4F2LMNAKDM4EALDH1A1
Phenylglycine SCHEMBL11576917 0.74 CYP2D6 (0.56) DPP4F2LMNAKDM4EALDH1A1
Phenylglycine SCHEMBL159420 0.74 CYP2D6 (0.56) DPP4F2LMNAKDM4EALDH1A1
Phenylglycine SCHEMBL31402004 0.74 CYP2D6 (0.56) DPP4F2LMNAKDM4EALDH1A1
SCHEMBL8643386 0.74 DPP4 (0.50) DPP4F2ADRA2AADRA2CLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-60248663-A None JP disclosed
JP-6220016-A None JP disclosed
EP-2986625-B1 MIXED MODE LIGANDS BIO RAD LABORATORIES (US) 2020-03-11 EP disclosed
US-10583429-B2 Mixed mode ligands BIO-RAD LABORATORIES, INC. (US) 2020-03-10 US disclosed
CN-105579463-B Mixed mode ligands 生物辐射实验室股份有限公司 2020-01-31 CN disclosed
WO-2018106519-A1 HETEROCYCLIC COMPOUNDS AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-06-14 WO disclosed
US-9556469-B2 Method for classifying the presence or absence of a microorganism in a biological medium COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2017-01-31 US disclosed
CN-105579463-A Mixed mode ligands BIO RAD LABORATORIES INC 2016-05-11 CN disclosed
EP-2986625-A2 MIXED MODE LIGANDS Bio-rad Laboratories, Inc. (US) 2016-02-24 EP disclosed
US-20150258539-A1 MIXED MODE LIGANDS BIO RAD LABORATORIES (US) 2015-09-17 US disclosed
JP-H06220016-A SUBSTITUTED PHENYLTHIOACETIC ACID SUMITOMO CHEM CO LTD 1994-08-09 JP disclosed
US-5237070-A Antiallergens, inhibiting bronchoconstriction RIKER LABORATORIES, INC. (US) 1993-08-17 US disclosed
EP-0212848-B1 SUBSTITUTED-DI-T-BUTYLPHENOLS RIKER LABORATORIES, INC. (US) 1990-12-05 EP disclosed
US-4801408-A 3-AMINO-4-FLUORO-6-HALOPHENYLTHIOACETIC ACIDS, 5-SUBSTITUTED ACETANILIDES, HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-01-31 US disclosed
EP-0126419-B1 2-SUBSTITUTED PHENYL-4,5,6,7-TETRAHYDRO-2H-ISOINDOLE-1,3-DIONES, AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-08-17 EP disclosed
US-4709049-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-11-24 US disclosed
US-4684397-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-08-04 US disclosed
EP-0212848-A2 Substituted-di-t-butylphenols RIKER LABORATORIES, INC. (US) 1987-03-04 EP disclosed
JP-S60248663-A AMINOPHENYLTHIOACETIC ACID COMPOUND AND ITS PREPARATION SUMITOMO CHEM CO LTD 1985-12-09 JP disclosed
EP-0126419-A1 2-Substituted phenyl-4,5,6,7-tetrahydro-2H-isoindole-1,3-diones, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-11-28 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 (2 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-20150258539-A1 MIXED MODE LIGANDS MRPL21, FABP2, MYOF DPP4 2961/4885F2 2752/4885ADRA2A 4395/4885
US-10583429-B2 Mixed mode ligands MRPL21, CD2BP2, FABP1 DPP4 3433/4885F2 1642/4885ADRA2A 4280/4885

“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.