SCHEMBL2889167

SCHEMBL2889167

O=[N+]([O-])c1ccc(C[S+]([O-])c2ncc(CBr)s2)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.40
XDH P47989 1/20 0.38
LMNA P02545 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 4/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 2/20 0.34
TP53 P04637 1/20 0.34
IDO1 P14902 2/20 0.34
RECQL P46063 1/20 0.34
CYP2C19 P33261 1/20 0.33
GSK3B P49841 1/20 0.33

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
SCHEMBL2893828 0.87 MAPT (0.43) MAPTXDHLMNAMEN1KMT2A
SCHEMBL28285856 0.67 LOXL2 (0.57) LOXL2POLBALDH1A1TSHRIDO1
SCHEMBL439 0.66 LOXL2 (0.61) LOXL2POLBALDH1A1TSHRIDO1
SCHEMBL2890314 0.65 POLB (0.44) MAPTLMNAMEN1KMT2AKDM4E
Phosphine SCHEMBL10925110 0.65 LOXL2 (0.59) LOXL2POLBALDH1A1TSHRIDO1
SCHEMBL4619209 0.65 LOXL2 (0.59) LOXL2POLBALDH1A1TSHRIDO1
SCHEMBL4164786 0.64 EPHX2 (0.60) MAPTLMNAMEN1KMT2ALOXL2
SCHEMBL26622213 0.64 LOXL2 (0.53) MAPTLOXL2POLBALDH1A1TSHR
SCHEMBL31344512 0.63 POLB (0.52) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL6488374 0.62 LOXL2 (0.55) MAPTLMNALOXL2POLBALDH1A1

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 MAPT 3789/4885XDH 1780/4885LMNA 4704/4885

“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.