SCHEMBL2885774

SCHEMBL2885774

COc1ccc(C[S+]([O-])c2ncc(CBr)s2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 4/20 0.33
LMNA P02545 2/20 0.33
ABL1 P00519 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SLC6A4 P31645 1/20 0.33
IDO1 P14902 1/20 0.33
NR1D1 P20393 1/20 0.32
NR1H3 Q13133 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MPI P34949 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
PTGS2 P35354 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 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
SCHEMBL2885936 0.85 NPC1 (0.31) POLBMEN1KMT2ALMNAABL1
SCHEMBL2893101 0.82 CYP1A2 (0.35) MEN1KMT2AABL1L3MBTL1
SCHEMBL2891653 0.82 LMNA (0.36) KMT2AALDH1A1LMNACDK2CDK5
SCHEMBL1566804 0.73 POLB (0.48) POLBMEN1KMT2AALDH1A1TDP1
SCHEMBL2885924 0.71 NPC1 (0.31) POLBMEN1KMT2ALMNAABL1
SCHEMBL2892848 0.70 CYP1A2 (0.36) MEN1KMT2AABL1TDP1L3MBTL1
SCHEMBL2893543 0.68 LMNA (0.36) KMT2AALDH1A1LMNATDP1L3MBTL1
SCHEMBL3387953 0.66 IDO1 (0.52) ALDH1A1SLC6A4IDO1KDM4ESMN1; SMN2
SCHEMBL29285349 0.64 LTA4H (0.53) ALDH1A1TDP1L3MBTL1IDO1SMN1; SMN2
SCHEMBL5519899 0.64 IDO1 (0.50) ALDH1A1SLC6A4IDO1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754234-B2 Chiral 2-(benzylsulfinyl)thiazole derivatives and 2-[(1H-pyrazol-4-ylmethyl)sulfinyl]thiazole derivatives, processes for their preparation and their use as herbicides and plant growth regulators BAYER CROPSCIENCE AG (DE) 2014-06-17 US claimed
US-20100285958-A1 Chiral 2-(benzylsulfinyl)Thiazole derivatives and 2-[(1H-pyrazol-4-ylmethyl)sulfinyl]thiazole derivatives, processes for their preparation and their use as herbicides and plant growth regulators BAYER INTELLECTUAL PROPERTY GMBH (DE) 2010-11-11 US claimed
EP-2227458-A2 2-(BENZYL- AND 1H-PYRAZOL-4-YLMETHYL)SULFINYL-THIAZOL-DERIVATIVES AS HERBICIDES AND PLANT GROWTH REGULATORS Bayer CropScience AG (DE) 2010-09-15 EP claimed
WO-2009068170-A2 2-(BENZYL- AND 1H-PYRAZOL-4-YLMETHYL)SULFINYL THIAZOLE DERIVATIVES AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE AG (DE) 2009-06-04 WO claimed
US-8754234-B2 Chiral 2-(benzylsulfinyl)thiazole derivatives and 2-[(1H-pyrazol-4-ylmethyl)sulfinyl]thiazole derivatives, processes for their preparation and their use as herbicides and plant growth regulators BAYER CROPSCIENCE AG (DE) 2014-06-17 US disclosed
US-20100285958-A1 Chiral 2-(benzylsulfinyl)Thiazole derivatives and 2-[(1H-pyrazol-4-ylmethyl)sulfinyl]thiazole derivatives, processes for their preparation and their use as herbicides and plant growth regulators BAYER INTELLECTUAL PROPERTY GMBH (DE) 2010-11-11 US disclosed
EP-2227458-A2 2-(BENZYL- AND 1H-PYRAZOL-4-YLMETHYL)SULFINYL-THIAZOL-DERIVATIVES AS HERBICIDES AND PLANT GROWTH REGULATORS Bayer CropScience AG (DE) 2010-09-15 EP disclosed
WO-2009068170-A2 2-(BENZYL- AND 1H-PYRAZOL-4-YLMETHYL)SULFINYL THIAZOLE DERIVATIVES AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE AG (DE) 2009-06-04 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 (1 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-20100285958-A1 Chiral 2-(benzylsulfinyl)Thiazole derivatives and 2-[(1H-pyrazol-4-ylmethyl)sulfinyl]thiazole derivatives, processes for their preparation and their use as herbicides and plant growth regulators STS, SULT2A1, SLTM POLB 3567/4885MEN1 4644/4885KMT2A 2053/4885

“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.